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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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/RNA-BYH-6b664b3d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-6b664b3d/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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -62.293980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.293980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.293980 (E_RNA) where: Base-Base interactions energy: -34.720 where: short stacking energy: -21.789 Base-Backbone interact. energy: -0.147 local terms energy: -27.426696 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.152 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -53.578094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.578094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.578094 (E_RNA) where: Base-Base interactions energy: -23.144 where: short stacking energy: -16.544 Base-Backbone interact. energy: -0.018 local terms energy: -30.416596 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -4.469 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: 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: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -62.913922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.913922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.913922 (E_RNA) where: Base-Base interactions energy: -29.042 where: short stacking energy: -29.042 Base-Backbone interact. energy: -0.000 local terms energy: -33.871597 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -9.701 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: 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -54.054936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.054936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.054936 (E_RNA) where: Base-Base interactions energy: -24.405 where: short stacking energy: -24.405 Base-Backbone interact. energy: -0.001 local terms energy: -29.648600 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -5.425 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: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -51.897960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.897960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.897960 (E_RNA) where: Base-Base interactions energy: -19.828 where: short stacking energy: -19.828 Base-Backbone interact. energy: -0.008 local terms energy: -32.062210 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -48.548873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.548873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.548873 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.001 local terms energy: -30.952136 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -52.294135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.294135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.294135 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.021 local terms energy: -29.774339 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -6.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -41.348020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.348020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.348020 (E_RNA) where: Base-Base interactions energy: -16.315 where: short stacking energy: -16.315 Base-Backbone interact. energy: -0.014 local terms energy: -25.018912 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -42.582907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.582907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.582907 (E_RNA) where: Base-Base interactions energy: -21.213 where: short stacking energy: -16.597 Base-Backbone interact. energy: 0.247 local terms energy: -21.616862 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: 0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -62.966928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.966928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.966928 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -26.928 Base-Backbone interact. energy: -0.000 local terms energy: -36.038854 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -65.248513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.248513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.248513 (E_RNA) where: Base-Base interactions energy: -34.315 where: short stacking energy: -28.581 Base-Backbone interact. energy: -0.000 local terms energy: -30.932629 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -4.178 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -4.689 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: 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: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -52.027057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.027057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.027057 (E_RNA) where: Base-Base interactions energy: -22.885 where: short stacking energy: -21.113 Base-Backbone interact. energy: -0.078 local terms energy: -29.064706 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -58.383772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.383772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.383772 (E_RNA) where: Base-Base interactions energy: -21.923 where: short stacking energy: -21.923 Base-Backbone interact. energy: -0.000 local terms energy: -36.460526 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -47.806617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.806617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.806617 (E_RNA) where: Base-Base interactions energy: -17.194 where: short stacking energy: -17.194 Base-Backbone interact. energy: -0.000 local terms energy: -30.612733 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -49.460153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.460153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.460153 (E_RNA) where: Base-Base interactions energy: -19.373 where: short stacking energy: -19.373 Base-Backbone interact. energy: -0.003 local terms energy: -30.084722 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.642 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: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -49.097562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.097562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.097562 (E_RNA) where: Base-Base interactions energy: -19.726 where: short stacking energy: -19.726 Base-Backbone interact. energy: -0.005 local terms energy: -29.366670 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -5.556 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -41.083265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.083265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.083265 (E_RNA) where: Base-Base interactions energy: -16.222 where: short stacking energy: -15.775 Base-Backbone interact. energy: -0.168 local terms energy: -24.692910 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -2.602 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: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -47.540958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.540958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.540958 (E_RNA) where: Base-Base interactions energy: -18.907 where: short stacking energy: -18.269 Base-Backbone interact. energy: 0.145 local terms energy: -28.779400 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -56.593821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.593821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.593821 (E_RNA) where: Base-Base interactions energy: -21.513 where: short stacking energy: -21.513 Base-Backbone interact. energy: -1.090 local terms energy: -33.991381 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -6.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -66.258405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.258405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.258405 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -27.050 Base-Backbone interact. energy: -0.004 local terms energy: -39.203601 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -57.984414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.984414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.984414 (E_RNA) where: Base-Base interactions energy: -21.614 where: short stacking energy: -21.614 Base-Backbone interact. energy: -0.001 local terms energy: -36.369356 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -55.544988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.544988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.544988 (E_RNA) where: Base-Base interactions energy: -27.219 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.094 local terms energy: -28.232436 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.507 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: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -56.860273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.860273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.860273 (E_RNA) where: Base-Base interactions energy: -28.978 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.001 local terms energy: -27.882066 where: bonds (distance) C4'-P energy: -2.765 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -50.577174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.577174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.577174 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.041 local terms energy: -30.386307 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -52.330615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.330615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.330615 (E_RNA) where: Base-Base interactions energy: -20.069 where: short stacking energy: -12.218 Base-Backbone interact. energy: -0.032 local terms energy: -32.229789 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -3.715 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -7.864 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: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -44.390790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.390790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.390790 (E_RNA) where: Base-Base interactions energy: -16.439 where: short stacking energy: -16.439 Base-Backbone interact. energy: -0.008 local terms energy: -27.944336 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.282 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: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -48.137764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.137764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.137764 (E_RNA) where: Base-Base interactions energy: -18.773 where: short stacking energy: -18.773 Base-Backbone interact. energy: -0.004 local terms energy: -29.361096 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -52.146422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.146422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.146422 (E_RNA) where: Base-Base interactions energy: -22.277 where: short stacking energy: -17.416 Base-Backbone interact. energy: -0.000 local terms energy: -29.868951 where: bonds (distance) C4'-P energy: -6.144 bonds (distance) P-C4' energy: -6.017 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -4.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -52.471363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.471363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.471363 (E_RNA) where: Base-Base interactions energy: -18.633 where: short stacking energy: -18.633 Base-Backbone interact. energy: -0.001 local terms energy: -33.837579 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -5.260 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: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -67.014749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.014749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.014749 (E_RNA) where: Base-Base interactions energy: -27.209 where: short stacking energy: -27.209 Base-Backbone interact. energy: -0.000 local terms energy: -39.805706 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -9.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -61.075973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.075973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.075973 (E_RNA) where: Base-Base interactions energy: -22.337 where: short stacking energy: -22.337 Base-Backbone interact. energy: -0.000 local terms energy: -38.738715 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -62.405761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.405761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.405761 (E_RNA) where: Base-Base interactions energy: -27.272 where: short stacking energy: -21.271 Base-Backbone interact. energy: -0.010 local terms energy: -35.124349 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -7.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -49.182701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.182701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.182701 (E_RNA) where: Base-Base interactions energy: -24.724 where: short stacking energy: -15.308 Base-Backbone interact. energy: -0.184 local terms energy: -24.274937 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -3.076 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -51.467065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.467065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.467065 (E_RNA) where: Base-Base interactions energy: -17.066 where: short stacking energy: -17.066 Base-Backbone interact. energy: -0.000 local terms energy: -34.401322 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -6.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -53.298505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.298505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.298505 (E_RNA) where: Base-Base interactions energy: -21.632 where: short stacking energy: -17.571 Base-Backbone interact. energy: -0.001 local terms energy: -31.664638 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -46.416416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.416416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.416416 (E_RNA) where: Base-Base interactions energy: -17.683 where: short stacking energy: -17.683 Base-Backbone interact. energy: -0.188 local terms energy: -28.544804 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -3.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -46.360697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.360697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.360697 (E_RNA) where: Base-Base interactions energy: -22.327 where: short stacking energy: -17.411 Base-Backbone interact. energy: -0.018 local terms energy: -24.015782 where: bonds (distance) C4'-P energy: 0.010 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -39.738246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.738246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.738246 (E_RNA) where: Base-Base interactions energy: -13.227 where: short stacking energy: -13.227 Base-Backbone interact. energy: -0.001 local terms energy: -26.509472 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -3.218 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -71.054120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.054120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.054120 (E_RNA) where: Base-Base interactions energy: -36.119 where: short stacking energy: -27.525 Base-Backbone interact. energy: -0.073 local terms energy: -34.861748 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -8.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -62.748391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.748391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.748391 (E_RNA) where: Base-Base interactions energy: -25.006 where: short stacking energy: -25.006 Base-Backbone interact. energy: -0.083 local terms energy: -37.658923 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -7.392 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: 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: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -55.889897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.889897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.889897 (E_RNA) where: Base-Base interactions energy: -20.706 where: short stacking energy: -16.264 Base-Backbone interact. energy: -0.000 local terms energy: -35.183470 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -46.164357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.164357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.164357 (E_RNA) where: Base-Base interactions energy: -19.202 where: short stacking energy: -14.164 Base-Backbone interact. energy: -0.671 local terms energy: -26.291074 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -2.934 flat angles P-C4'-P energy: -5.235 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: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -45.318579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.318579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.318579 (E_RNA) where: Base-Base interactions energy: -26.499 where: short stacking energy: -10.843 Base-Backbone interact. energy: 0.785 local terms energy: -19.604504 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -2.847 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: 1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -52.780070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.780070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.780070 (E_RNA) where: Base-Base interactions energy: -23.911 where: short stacking energy: -15.177 Base-Backbone interact. energy: -0.121 local terms energy: -28.748021 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -42.905904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.905904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.905904 (E_RNA) where: Base-Base interactions energy: -18.642 where: short stacking energy: -18.642 Base-Backbone interact. energy: -0.387 local terms energy: -23.876908 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -2.966 flat angles P-C4'-P energy: -3.619 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: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -40.925996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.925996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.925996 (E_RNA) where: Base-Base interactions energy: -17.487 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.098 local terms energy: -23.340704 where: bonds (distance) C4'-P energy: -4.777 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -67.657111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.657111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.657111 (E_RNA) where: Base-Base interactions energy: -35.301 where: short stacking energy: -21.653 Base-Backbone interact. energy: -0.040 local terms energy: -32.315902 where: bonds (distance) C4'-P energy: -5.068 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -58.369780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.369780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.369780 (E_RNA) where: Base-Base interactions energy: -24.267 where: short stacking energy: -24.267 Base-Backbone interact. energy: -0.084 local terms energy: -34.018566 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -6.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -67.772827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.772827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.772827 (E_RNA) where: Base-Base interactions energy: -31.180 where: short stacking energy: -24.244 Base-Backbone interact. energy: -1.637 local terms energy: -34.955480 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -7.158 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -8.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -64.897677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.897677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.897677 (E_RNA) where: Base-Base interactions energy: -30.614 where: short stacking energy: -22.419 Base-Backbone interact. energy: -0.027 local terms energy: -34.257004 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: -49.820940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.820940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.820940 (E_RNA) where: Base-Base interactions energy: -24.044 where: short stacking energy: -20.262 Base-Backbone interact. energy: -0.288 local terms energy: -25.489650 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.292 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: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -54.461886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.461886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.461886 (E_RNA) where: Base-Base interactions energy: -21.770 where: short stacking energy: -15.738 Base-Backbone interact. energy: -2.803 local terms energy: -29.888958 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -7.073 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: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -37.500088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.500088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.500088 (E_RNA) where: Base-Base interactions energy: -14.914 where: short stacking energy: -14.317 Base-Backbone interact. energy: -0.104 local terms energy: -22.482444 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -3.175 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: 0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -44.549438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.549438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.549438 (E_RNA) where: Base-Base interactions energy: -10.819 where: short stacking energy: -10.819 Base-Backbone interact. energy: -0.093 local terms energy: -33.636606 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -43.543036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.543036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.543036 (E_RNA) where: Base-Base interactions energy: -19.457 where: short stacking energy: -15.378 Base-Backbone interact. energy: -0.102 local terms energy: -23.984032 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.635 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: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -82.665436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.665436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.665436 (E_RNA) where: Base-Base interactions energy: -46.015 where: short stacking energy: -33.502 Base-Backbone interact. energy: -0.001 local terms energy: -36.649849 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -8.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -53.172320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.172320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.172320 (E_RNA) where: Base-Base interactions energy: -22.743 where: short stacking energy: -18.140 Base-Backbone interact. energy: -0.081 local terms energy: -30.348405 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -5.748 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: 3, replica: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -54.784011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.784011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.784011 (E_RNA) where: Base-Base interactions energy: -27.625 where: short stacking energy: -24.397 Base-Backbone interact. energy: -0.174 local terms energy: -26.984891 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: 2.275 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: 9 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -59.551761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.551761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.551761 (E_RNA) where: Base-Base interactions energy: -25.235 where: short stacking energy: -21.495 Base-Backbone interact. energy: -0.001 local terms energy: -34.316345 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -4.307 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: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -53.996061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.996061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.996061 (E_RNA) where: Base-Base interactions energy: -20.649 where: short stacking energy: -20.649 Base-Backbone interact. energy: -0.000 local terms energy: -33.346623 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -6.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -47.904824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.904824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.904824 (E_RNA) where: Base-Base interactions energy: -17.516 where: short stacking energy: -17.516 Base-Backbone interact. energy: -0.057 local terms energy: -30.331713 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -5.632 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -6.259 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: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -49.291453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.291453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.291453 (E_RNA) where: Base-Base interactions energy: -19.227 where: short stacking energy: -19.227 Base-Backbone interact. energy: -0.005 local terms energy: -30.058892 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -51.083466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.083466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.083466 (E_RNA) where: Base-Base interactions energy: -21.580 where: short stacking energy: -21.580 Base-Backbone interact. energy: -0.000 local terms energy: -29.502910 where: bonds (distance) C4'-P energy: -4.952 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -5.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -46.863273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.863273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.863273 (E_RNA) where: Base-Base interactions energy: -16.623 where: short stacking energy: -16.623 Base-Backbone interact. energy: -0.122 local terms energy: -30.118090 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -4.973 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: 10, replica: 2 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -40.503773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.503773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.503773 (E_RNA) where: Base-Base interactions energy: -14.472 where: short stacking energy: -14.472 Base-Backbone interact. energy: -0.292 local terms energy: -25.740528 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: 1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -83.812327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.812327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.812327 (E_RNA) where: Base-Base interactions energy: -48.007 where: short stacking energy: -28.947 Base-Backbone interact. energy: 0.127 local terms energy: -35.932912 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -4.947 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: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -55.170004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.170004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.170004 (E_RNA) where: Base-Base interactions energy: -22.147 where: short stacking energy: -22.147 Base-Backbone interact. energy: -0.003 local terms energy: -33.020494 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -6.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -56.412654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.412654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.412654 (E_RNA) where: Base-Base interactions energy: -22.765 where: short stacking energy: -22.765 Base-Backbone interact. energy: -0.003 local terms energy: -33.644493 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.448 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: 4, replica: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -51.543714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.543714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.543714 (E_RNA) where: Base-Base interactions energy: -18.870 where: short stacking energy: -18.870 Base-Backbone interact. energy: -0.001 local terms energy: -32.673069 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -5.129 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: 5, replica: 9 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -50.768042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.768042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.768042 (E_RNA) where: Base-Base interactions energy: -18.109 where: short stacking energy: -17.815 Base-Backbone interact. energy: -0.003 local terms energy: -32.656284 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -53.032279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.032279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.032279 (E_RNA) where: Base-Base interactions energy: -18.409 where: short stacking energy: -18.369 Base-Backbone interact. energy: -0.005 local terms energy: -34.618554 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -5.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -49.634047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.634047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.634047 (E_RNA) where: Base-Base interactions energy: -26.182 where: short stacking energy: -16.889 Base-Backbone interact. energy: -0.007 local terms energy: -23.444409 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -43.933893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.933893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.933893 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.018 local terms energy: -33.385714 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -46.909113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.909113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.909113 (E_RNA) where: Base-Base interactions energy: -11.729 where: short stacking energy: -11.729 Base-Backbone interact. energy: -0.095 local terms energy: -35.084886 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -44.407410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.407410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.407410 (E_RNA) where: Base-Base interactions energy: -18.416 where: short stacking energy: -18.416 Base-Backbone interact. energy: -0.000 local terms energy: -25.991226 where: bonds (distance) C4'-P energy: -3.907 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -3.861 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: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -79.327608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.327608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.327608 (E_RNA) where: Base-Base interactions energy: -45.111 where: short stacking energy: -30.553 Base-Backbone interact. energy: -0.005 local terms energy: -34.211325 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -4.603 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: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -63.247699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.247699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.247699 (E_RNA) where: Base-Base interactions energy: -32.373 where: short stacking energy: -25.715 Base-Backbone interact. energy: -0.006 local terms energy: -30.869245 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -4.782 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: 3, replica: 10 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -48.623698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.623698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.623698 (E_RNA) where: Base-Base interactions energy: -17.069 where: short stacking energy: -17.069 Base-Backbone interact. energy: -0.079 local terms energy: -31.475774 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -6.557 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: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -61.629449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.629449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.629449 (E_RNA) where: Base-Base interactions energy: -25.623 where: short stacking energy: -25.623 Base-Backbone interact. energy: -0.000 local terms energy: -36.006280 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -52.727330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.727330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.727330 (E_RNA) where: Base-Base interactions energy: -25.228 where: short stacking energy: -16.304 Base-Backbone interact. energy: -0.011 local terms energy: -27.488191 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -3.954 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: 6, replica: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -50.915481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.915481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.915481 (E_RNA) where: Base-Base interactions energy: -15.145 where: short stacking energy: -15.145 Base-Backbone interact. energy: -0.081 local terms energy: -35.689715 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -5.319 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: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -46.359330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.359330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.359330 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.046 local terms energy: -34.022348 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -4.774 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: 8, replica: 3 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -49.390165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.390165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.390165 (E_RNA) where: Base-Base interactions energy: -18.854 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.000 local terms energy: -30.535869 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -2.814 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: 9, replica: 2 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -41.253819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.253819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.253819 (E_RNA) where: Base-Base interactions energy: -15.073 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.091 local terms energy: -26.090486 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -39.961645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.961645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.961645 (E_RNA) where: Base-Base interactions energy: -11.487 where: short stacking energy: -11.487 Base-Backbone interact. energy: -0.622 local terms energy: -27.852362 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.786 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: 0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -70.778259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.778259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.778259 (E_RNA) where: Base-Base interactions energy: -31.514 where: short stacking energy: -26.681 Base-Backbone interact. energy: -0.000 local terms energy: -39.264087 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -6.504 tors. eta vs tors. theta energy: -7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -69.301159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.301159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.301159 (E_RNA) where: Base-Base interactions energy: -34.105 where: short stacking energy: -23.781 Base-Backbone interact. energy: -0.079 local terms energy: -35.116531 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -5.485 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: 3, replica: 6 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -64.230842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.230842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.230842 (E_RNA) where: Base-Base interactions energy: -28.352 where: short stacking energy: -23.676 Base-Backbone interact. energy: -0.000 local terms energy: -35.879016 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -52.363354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.363354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.363354 (E_RNA) where: Base-Base interactions energy: -24.000 where: short stacking energy: -24.000 Base-Backbone interact. energy: -0.000 local terms energy: -28.363337 where: bonds (distance) C4'-P energy: -4.328 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -6.070 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: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -59.960203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.960203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.960203 (E_RNA) where: Base-Base interactions energy: -26.955 where: short stacking energy: -26.955 Base-Backbone interact. energy: -0.001 local terms energy: -33.003724 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: 0.279 tors. eta vs tors. theta energy: -10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -54.850891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.850891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.850891 (E_RNA) where: Base-Base interactions energy: -23.984 where: short stacking energy: -23.984 Base-Backbone interact. energy: -0.003 local terms energy: -30.863998 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -4.548 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: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -53.489258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.489258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.489258 (E_RNA) where: Base-Base interactions energy: -23.752 where: short stacking energy: -16.759 Base-Backbone interact. energy: -0.101 local terms energy: -29.636076 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -0.688 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: 8, replica: 3 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -49.241249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.241249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.241249 (E_RNA) where: Base-Base interactions energy: -18.187 where: short stacking energy: -16.995 Base-Backbone interact. energy: -0.076 local terms energy: -30.978804 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -5.438 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: 2 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -56.516022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.516022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.516022 (E_RNA) where: Base-Base interactions energy: -28.276 where: short stacking energy: -20.839 Base-Backbone interact. energy: -1.069 local terms energy: -27.170918 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -0.627 flat angles P-C4'-P energy: -5.319 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: 10, replica: 5 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -45.314879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.314879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.314879 (E_RNA) where: Base-Base interactions energy: -14.528 where: short stacking energy: -14.528 Base-Backbone interact. energy: -0.071 local terms energy: -30.715495 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -73.989367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.989367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.989367 (E_RNA) where: Base-Base interactions energy: -31.531 where: short stacking energy: -31.531 Base-Backbone interact. energy: -0.000 local terms energy: -42.458481 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -73.531619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.531619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.531619 (E_RNA) where: Base-Base interactions energy: -38.561 where: short stacking energy: -28.124 Base-Backbone interact. energy: -0.017 local terms energy: -34.954065 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -59.920817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.920817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.920817 (E_RNA) where: Base-Base interactions energy: -26.495 where: short stacking energy: -26.495 Base-Backbone interact. energy: -0.001 local terms energy: -33.424555 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -8.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -55.970743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.970743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.970743 (E_RNA) where: Base-Base interactions energy: -23.217 where: short stacking energy: -23.217 Base-Backbone interact. energy: -0.100 local terms energy: -32.653764 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -54.658440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.658440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.658440 (E_RNA) where: Base-Base interactions energy: -24.780 where: short stacking energy: -24.780 Base-Backbone interact. energy: -0.044 local terms energy: -29.834238 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -48.428912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.428912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.428912 (E_RNA) where: Base-Base interactions energy: -16.440 where: short stacking energy: -6.283 Base-Backbone interact. energy: -0.110 local terms energy: -31.878897 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -5.619 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: 7, replica: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -49.671385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.671385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.671385 (E_RNA) where: Base-Base interactions energy: -16.598 where: short stacking energy: -16.598 Base-Backbone interact. energy: -0.000 local terms energy: -33.073077 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -4.304 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: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -46.942139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.942139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.942139 (E_RNA) where: Base-Base interactions energy: -16.969 where: short stacking energy: -16.914 Base-Backbone interact. energy: -0.200 local terms energy: -29.772894 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -0.779 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: 5 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -43.168557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.168557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.168557 (E_RNA) where: Base-Base interactions energy: -17.684 where: short stacking energy: -17.684 Base-Backbone interact. energy: -0.001 local terms energy: -25.483871 where: bonds (distance) C4'-P energy: -3.548 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -3.165 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: 10, replica: 2 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -41.298030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.298030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.298030 (E_RNA) where: Base-Base interactions energy: -10.633 where: short stacking energy: -10.633 Base-Backbone interact. energy: -0.100 local terms energy: -30.564850 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -67.528478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.528478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.528478 (E_RNA) where: Base-Base interactions energy: -32.130 where: short stacking energy: -32.130 Base-Backbone interact. energy: -0.000 local terms energy: -35.398637 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -5.280 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: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -57.049666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.049666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.049666 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -19.609 Base-Backbone interact. energy: -0.050 local terms energy: -30.071529 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -51.506868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.506868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.506868 (E_RNA) where: Base-Base interactions energy: -21.479 where: short stacking energy: -21.479 Base-Backbone interact. energy: -0.001 local terms energy: -30.027736 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -52.352113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.352113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.352113 (E_RNA) where: Base-Base interactions energy: -20.131 where: short stacking energy: -20.131 Base-Backbone interact. energy: -0.000 local terms energy: -32.221216 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -3.943 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -49.242739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.242739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.242739 (E_RNA) where: Base-Base interactions energy: -21.334 where: short stacking energy: -21.334 Base-Backbone interact. energy: -0.099 local terms energy: -27.810320 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -2.536 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: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -49.098042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.098042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.098042 (E_RNA) where: Base-Base interactions energy: -18.377 where: short stacking energy: -18.377 Base-Backbone interact. energy: -0.032 local terms energy: -30.688492 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -60.041320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.041320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.041320 (E_RNA) where: Base-Base interactions energy: -29.882 where: short stacking energy: -19.816 Base-Backbone interact. energy: -0.378 local terms energy: -29.781197 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -1.214 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -46.686614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.686614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.686614 (E_RNA) where: Base-Base interactions energy: -23.314 where: short stacking energy: -18.831 Base-Backbone interact. energy: -0.017 local terms energy: -23.355936 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.479 flat angles C4'-P-C4' energy: -3.407 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -49.106201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.106201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.106201 (E_RNA) where: Base-Base interactions energy: -19.103 where: short stacking energy: -19.103 Base-Backbone interact. energy: -0.046 local terms energy: -29.956703 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -41.861326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.861326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.861326 (E_RNA) where: Base-Base interactions energy: -19.278 where: short stacking energy: -19.044 Base-Backbone interact. energy: -0.000 local terms energy: -22.583369 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -76.024823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.024823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.024823 (E_RNA) where: Base-Base interactions energy: -40.754 where: short stacking energy: -32.191 Base-Backbone interact. energy: -0.001 local terms energy: -35.269294 where: bonds (distance) C4'-P energy: -6.008 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -8.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -69.762346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.762346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.762346 (E_RNA) where: Base-Base interactions energy: -36.429 where: short stacking energy: -20.805 Base-Backbone interact. energy: -0.072 local terms energy: -33.261714 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -6.953 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: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -66.539167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.539167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.539167 (E_RNA) where: Base-Base interactions energy: -31.156 where: short stacking energy: -31.156 Base-Backbone interact. energy: -0.000 local terms energy: -35.383477 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -8.143 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: 9 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -55.910060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.910060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.910060 (E_RNA) where: Base-Base interactions energy: -21.251 where: short stacking energy: -21.251 Base-Backbone interact. energy: -0.000 local terms energy: -34.659077 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -6.720 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: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -47.171696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.171696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.171696 (E_RNA) where: Base-Base interactions energy: -19.682 where: short stacking energy: -19.682 Base-Backbone interact. energy: -0.042 local terms energy: -27.447230 where: bonds (distance) C4'-P energy: -3.672 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -49.926946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.926946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.926946 (E_RNA) where: Base-Base interactions energy: -17.511 where: short stacking energy: -17.511 Base-Backbone interact. energy: -0.000 local terms energy: -32.415619 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -4.897 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: 7, replica: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -41.227747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.227747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.227747 (E_RNA) where: Base-Base interactions energy: -13.242 where: short stacking energy: -13.242 Base-Backbone interact. energy: -0.139 local terms energy: -27.847027 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -45.131771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.131771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.131771 (E_RNA) where: Base-Base interactions energy: -15.718 where: short stacking energy: -15.718 Base-Backbone interact. energy: -0.024 local terms energy: -29.389925 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -2.448 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: 9, replica: 2 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -41.133644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.133644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.133644 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.207 local terms energy: -27.186923 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: 0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -41.660086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.660086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.660086 (E_RNA) where: Base-Base interactions energy: -15.051 where: short stacking energy: -15.051 Base-Backbone interact. energy: -0.002 local terms energy: -26.606765 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -79.714517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.714517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.714517 (E_RNA) where: Base-Base interactions energy: -44.807 where: short stacking energy: -28.534 Base-Backbone interact. energy: -0.002 local terms energy: -34.906201 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -60.362847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.362847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.362847 (E_RNA) where: Base-Base interactions energy: -23.982 where: short stacking energy: -23.982 Base-Backbone interact. energy: -0.016 local terms energy: -36.365337 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -5.134 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: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -56.710289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.710289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.710289 (E_RNA) where: Base-Base interactions energy: -22.625 where: short stacking energy: -22.625 Base-Backbone interact. energy: -0.018 local terms energy: -34.067177 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -5.801 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: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -60.333592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.333592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.333592 (E_RNA) where: Base-Base interactions energy: -24.910 where: short stacking energy: -24.844 Base-Backbone interact. energy: -0.005 local terms energy: -35.418562 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -6.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -52.219450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.219450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.219450 (E_RNA) where: Base-Base interactions energy: -19.017 where: short stacking energy: -19.017 Base-Backbone interact. energy: -0.015 local terms energy: -33.187041 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -4.679 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: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -46.867065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.867065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.867065 (E_RNA) where: Base-Base interactions energy: -14.029 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.031 local terms energy: -32.807733 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.550 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -50.178860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.178860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.178860 (E_RNA) where: Base-Base interactions energy: -20.144 where: short stacking energy: -17.139 Base-Backbone interact. energy: -0.813 local terms energy: -29.221432 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.550 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: 8, replica: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -45.992774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.992774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.992774 (E_RNA) where: Base-Base interactions energy: -15.775 where: short stacking energy: -15.775 Base-Backbone interact. energy: -0.189 local terms energy: -30.029533 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -53.820100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.820100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.820100 (E_RNA) where: Base-Base interactions energy: -25.694 where: short stacking energy: -15.037 Base-Backbone interact. energy: -0.045 local terms energy: -28.081217 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -5.475 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: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -40.131211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.131211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.131211 (E_RNA) where: Base-Base interactions energy: -13.489 where: short stacking energy: -13.489 Base-Backbone interact. energy: -0.088 local terms energy: -26.554048 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: 0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -67.956316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.956316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.956316 (E_RNA) where: Base-Base interactions energy: -31.086 where: short stacking energy: -31.086 Base-Backbone interact. energy: -0.000 local terms energy: -36.869899 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -9.031 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -8.597 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: 10 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -73.381617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.381617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.381617 (E_RNA) where: Base-Base interactions energy: -43.250 where: short stacking energy: -17.478 Base-Backbone interact. energy: -0.083 local terms energy: -30.048744 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -5.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -56.877043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.877043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.877043 (E_RNA) where: Base-Base interactions energy: -23.898 where: short stacking energy: -23.898 Base-Backbone interact. energy: -0.006 local terms energy: -32.973380 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -6.458 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: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -53.639458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.639458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.639458 (E_RNA) where: Base-Base interactions energy: -24.178 where: short stacking energy: -21.324 Base-Backbone interact. energy: -0.055 local terms energy: -29.405820 where: bonds (distance) C4'-P energy: -7.389 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -0.535 tors. eta vs tors. theta energy: -6.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -55.172389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.172389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.172389 (E_RNA) where: Base-Base interactions energy: -20.362 where: short stacking energy: -20.362 Base-Backbone interact. energy: -0.008 local terms energy: -34.802662 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -3.675 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: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -51.054076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.054076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.054076 (E_RNA) where: Base-Base interactions energy: -17.631 where: short stacking energy: -12.182 Base-Backbone interact. energy: -0.421 local terms energy: -33.001887 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -44.356270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.356270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.356270 (E_RNA) where: Base-Base interactions energy: -16.733 where: short stacking energy: -16.733 Base-Backbone interact. energy: -0.024 local terms energy: -27.599340 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -3.529 flat angles P-C4'-P energy: -5.481 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: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -47.796699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.796699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.796699 (E_RNA) where: Base-Base interactions energy: -17.469 where: short stacking energy: -17.469 Base-Backbone interact. energy: -0.154 local terms energy: -30.174032 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -40.683868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.683868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.683868 (E_RNA) where: Base-Base interactions energy: -12.986 where: short stacking energy: -12.986 Base-Backbone interact. energy: -0.010 local terms energy: -27.687900 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -37.035858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.035858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.035858 (E_RNA) where: Base-Base interactions energy: -9.120 where: short stacking energy: -9.120 Base-Backbone interact. energy: -0.114 local terms energy: -27.801972 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -5.369 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: 1, replica: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -73.075262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.075262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.075262 (E_RNA) where: Base-Base interactions energy: -40.155 where: short stacking energy: -26.773 Base-Backbone interact. energy: -0.003 local terms energy: -32.917711 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -8.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -75.823123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.823123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.823123 (E_RNA) where: Base-Base interactions energy: -40.785 where: short stacking energy: -20.846 Base-Backbone interact. energy: -0.104 local terms energy: -34.934379 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -6.698 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: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -68.312231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.312231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.312231 (E_RNA) where: Base-Base interactions energy: -30.522 where: short stacking energy: -30.066 Base-Backbone interact. energy: -0.000 local terms energy: -37.790428 where: bonds (distance) C4'-P energy: -4.040 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -10.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -59.137908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.137908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.137908 (E_RNA) where: Base-Base interactions energy: -25.549 where: short stacking energy: -25.549 Base-Backbone interact. energy: -0.000 local terms energy: -33.588531 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -49.309052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.309052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.309052 (E_RNA) where: Base-Base interactions energy: -15.598 where: short stacking energy: -15.598 Base-Backbone interact. energy: -0.660 local terms energy: -33.051028 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -45.352106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.352106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.352106 (E_RNA) where: Base-Base interactions energy: -17.899 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.011 local terms energy: -27.441770 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: 1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -54.435785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.435785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.435785 (E_RNA) where: Base-Base interactions energy: -24.109 where: short stacking energy: -20.286 Base-Backbone interact. energy: -0.015 local terms energy: -30.311378 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -5.857 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: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -44.702475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.702475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.702475 (E_RNA) where: Base-Base interactions energy: -16.990 where: short stacking energy: -16.990 Base-Backbone interact. energy: -0.000 local terms energy: -27.712324 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -1.660 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -47.992185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.992185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.992185 (E_RNA) where: Base-Base interactions energy: -14.699 where: short stacking energy: -14.699 Base-Backbone interact. energy: -0.182 local terms energy: -33.111112 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -45.209519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.209519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.209519 (E_RNA) where: Base-Base interactions energy: -16.072 where: short stacking energy: -16.072 Base-Backbone interact. energy: -0.039 local terms energy: -29.098753 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.463 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: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -70.082051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.082051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.082051 (E_RNA) where: Base-Base interactions energy: -36.363 where: short stacking energy: -22.835 Base-Backbone interact. energy: -0.020 local terms energy: -33.699044 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -3.967 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: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -69.104607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.104607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.104607 (E_RNA) where: Base-Base interactions energy: -29.954 where: short stacking energy: -29.954 Base-Backbone interact. energy: -0.000 local terms energy: -39.150840 where: bonds (distance) C4'-P energy: -8.019 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -8.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -55.411217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.411217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.411217 (E_RNA) where: Base-Base interactions energy: -22.154 where: short stacking energy: -21.031 Base-Backbone interact. energy: -0.003 local terms energy: -33.254263 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -6.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -57.969089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.969089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.969089 (E_RNA) where: Base-Base interactions energy: -24.996 where: short stacking energy: -16.925 Base-Backbone interact. energy: -0.002 local terms energy: -32.971499 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -53.640277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.640277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.640277 (E_RNA) where: Base-Base interactions energy: -28.263 where: short stacking energy: -16.981 Base-Backbone interact. energy: -0.032 local terms energy: -25.345068 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: 0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -64.852901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.852901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.852901 (E_RNA) where: Base-Base interactions energy: -33.226 where: short stacking energy: -28.183 Base-Backbone interact. energy: -0.002 local terms energy: -31.624137 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -4.302 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -40.504702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.504702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.504702 (E_RNA) where: Base-Base interactions energy: -14.058 where: short stacking energy: -13.443 Base-Backbone interact. energy: -0.001 local terms energy: -26.445776 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -4.915 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: 8, replica: 2 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -53.577514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.577514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.577514 (E_RNA) where: Base-Base interactions energy: -20.884 where: short stacking energy: -20.033 Base-Backbone interact. energy: -0.173 local terms energy: -32.520267 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -49.070518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.070518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.070518 (E_RNA) where: Base-Base interactions energy: -17.999 where: short stacking energy: -14.381 Base-Backbone interact. energy: -0.025 local terms energy: -31.046841 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -1.819 tors. eta vs tors. theta energy: -4.919 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: 5 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -41.146145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.146145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.146145 (E_RNA) where: Base-Base interactions energy: -14.873 where: short stacking energy: -12.431 Base-Backbone interact. energy: -0.001 local terms energy: -26.271750 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -74.309994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.309994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.309994 (E_RNA) where: Base-Base interactions energy: -37.822 where: short stacking energy: -29.516 Base-Backbone interact. energy: -0.020 local terms energy: -36.467154 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -6.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -57.842519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.842519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.842519 (E_RNA) where: Base-Base interactions energy: -30.827 where: short stacking energy: -19.022 Base-Backbone interact. energy: -0.017 local terms energy: -26.998589 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: 0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -58.558894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.558894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.558894 (E_RNA) where: Base-Base interactions energy: -24.218 where: short stacking energy: -24.218 Base-Backbone interact. energy: -0.004 local terms energy: -34.336927 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -56.574029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.574029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.574029 (E_RNA) where: Base-Base interactions energy: -24.227 where: short stacking energy: -24.227 Base-Backbone interact. energy: 0.077 local terms energy: -32.423760 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -4.487 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: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -53.669975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.669975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.669975 (E_RNA) where: Base-Base interactions energy: -23.935 where: short stacking energy: -15.670 Base-Backbone interact. energy: -0.040 local terms energy: -29.695479 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.934 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -4.425 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: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -49.869915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.869915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.869915 (E_RNA) where: Base-Base interactions energy: -18.778 where: short stacking energy: -12.377 Base-Backbone interact. energy: -0.761 local terms energy: -30.330404 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -5.613 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: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -44.982183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.982183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.982183 (E_RNA) where: Base-Base interactions energy: -16.537 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.153 local terms energy: -28.291770 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -5.865 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -44.871693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.871693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.871693 (E_RNA) where: Base-Base interactions energy: -16.110 where: short stacking energy: -8.572 Base-Backbone interact. energy: -0.050 local terms energy: -28.711220 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -43.149609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.149609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.149609 (E_RNA) where: Base-Base interactions energy: -17.488 where: short stacking energy: -17.488 Base-Backbone interact. energy: -0.074 local terms energy: -25.587930 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -2.799 flat angles P-C4'-P energy: -4.995 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: 10, replica: 5 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -44.700408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.700408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.700408 (E_RNA) where: Base-Base interactions energy: -11.916 where: short stacking energy: -11.916 Base-Backbone interact. energy: -0.016 local terms energy: -32.768671 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -74.735691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.735691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.735691 (E_RNA) where: Base-Base interactions energy: -42.163 where: short stacking energy: -27.515 Base-Backbone interact. energy: -0.000 local terms energy: -32.572796 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.560 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -7.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -58.187563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.187563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.187563 (E_RNA) where: Base-Base interactions energy: -24.116 where: short stacking energy: -24.116 Base-Backbone interact. energy: -0.030 local terms energy: -34.042334 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -7.379 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: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -63.816422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.816422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.816422 (E_RNA) where: Base-Base interactions energy: -28.556 where: short stacking energy: -28.556 Base-Backbone interact. energy: -0.000 local terms energy: -35.260812 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -4.667 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: 4, replica: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -56.327320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.327320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.327320 (E_RNA) where: Base-Base interactions energy: -24.375 where: short stacking energy: -24.375 Base-Backbone interact. energy: -0.081 local terms energy: -31.871337 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -5.406 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: 5, replica: 9 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -60.182070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.182070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.182070 (E_RNA) where: Base-Base interactions energy: -28.367 where: short stacking energy: -28.367 Base-Backbone interact. energy: -0.095 local terms energy: -31.720441 where: bonds (distance) C4'-P energy: -7.352 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -4.599 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: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -52.992806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.992806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.992806 (E_RNA) where: Base-Base interactions energy: -18.791 where: short stacking energy: -18.791 Base-Backbone interact. energy: -0.151 local terms energy: -34.051113 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -5.606 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: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -54.789678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.789678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.789678 (E_RNA) where: Base-Base interactions energy: -26.341 where: short stacking energy: -23.092 Base-Backbone interact. energy: -0.000 local terms energy: -28.448427 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -45.433884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.433884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.433884 (E_RNA) where: Base-Base interactions energy: -19.150 where: short stacking energy: -10.415 Base-Backbone interact. energy: -0.103 local terms energy: -26.180671 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -3.362 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: 9, replica: 5 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -45.105413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.105413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.105413 (E_RNA) where: Base-Base interactions energy: -17.386 where: short stacking energy: -17.386 Base-Backbone interact. energy: -0.001 local terms energy: -27.719229 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -5.616 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -40.824313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.824313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.824313 (E_RNA) where: Base-Base interactions energy: -17.851 where: short stacking energy: -9.778 Base-Backbone interact. energy: -0.013 local terms energy: -22.959654 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.315 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -61.001565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.001565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.001565 (E_RNA) where: Base-Base interactions energy: -27.493 where: short stacking energy: -24.997 Base-Backbone interact. energy: -0.004 local terms energy: -33.504728 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -4.722 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: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -70.901525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.901525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.901525 (E_RNA) where: Base-Base interactions energy: -31.511 where: short stacking energy: -31.511 Base-Backbone interact. energy: -0.000 local terms energy: -39.390260 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.855 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -8.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -54.641432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.641432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.641432 (E_RNA) where: Base-Base interactions energy: -22.317 where: short stacking energy: -20.085 Base-Backbone interact. energy: -0.032 local terms energy: -32.293287 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -50.182536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.182536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.182536 (E_RNA) where: Base-Base interactions energy: -15.847 where: short stacking energy: -14.684 Base-Backbone interact. energy: -0.010 local terms energy: -34.326158 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -45.306209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.306209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.306209 (E_RNA) where: Base-Base interactions energy: -16.276 where: short stacking energy: -16.276 Base-Backbone interact. energy: -0.000 local terms energy: -29.030246 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -3.955 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: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -46.624031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.624031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.624031 (E_RNA) where: Base-Base interactions energy: -18.183 where: short stacking energy: -18.483 Base-Backbone interact. energy: -0.006 local terms energy: -28.435030 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -4.794 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: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -48.301140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.301140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.301140 (E_RNA) where: Base-Base interactions energy: -18.438 where: short stacking energy: -18.107 Base-Backbone interact. energy: -0.014 local terms energy: -29.849828 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -7.241 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: 8, replica: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -46.559568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.559568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.559568 (E_RNA) where: Base-Base interactions energy: -23.114 where: short stacking energy: -18.640 Base-Backbone interact. energy: -0.111 local terms energy: -23.334895 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.262 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: 9, replica: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -40.823422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.823422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.823422 (E_RNA) where: Base-Base interactions energy: -15.557 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.152 local terms energy: -25.115100 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -6.147 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: 10, replica: 2 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -39.346283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.346283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.346283 (E_RNA) where: Base-Base interactions energy: -14.620 where: short stacking energy: -14.620 Base-Backbone interact. energy: -0.013 local terms energy: -24.713276 where: bonds (distance) C4'-P energy: -2.143 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -6.689 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -75.448570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.448570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.448570 (E_RNA) where: Base-Base interactions energy: -37.859 where: short stacking energy: -32.013 Base-Backbone interact. energy: -0.000 local terms energy: -37.589281 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -11.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -67.580314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.580314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.580314 (E_RNA) where: Base-Base interactions energy: -29.608 where: short stacking energy: -29.608 Base-Backbone interact. energy: -0.000 local terms energy: -37.971915 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -9.920 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: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -53.497808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.497808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.497808 (E_RNA) where: Base-Base interactions energy: -23.094 where: short stacking energy: -23.094 Base-Backbone interact. energy: -0.000 local terms energy: -30.403827 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -4.575 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: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -57.876714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.876714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.876714 (E_RNA) where: Base-Base interactions energy: -30.433 where: short stacking energy: -18.695 Base-Backbone interact. energy: 0.459 local terms energy: -27.902737 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -3.766 flat angles P-C4'-P energy: -5.242 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: 5, replica: 6 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -55.667962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.667962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.667962 (E_RNA) where: Base-Base interactions energy: -23.955 where: short stacking energy: -23.955 Base-Backbone interact. energy: -0.048 local terms energy: -31.664799 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -8.600 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: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -54.442338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.442338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.442338 (E_RNA) where: Base-Base interactions energy: -18.473 where: short stacking energy: -18.473 Base-Backbone interact. energy: -0.001 local terms energy: -35.968837 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -53.751609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.751609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.751609 (E_RNA) where: Base-Base interactions energy: -20.658 where: short stacking energy: -18.152 Base-Backbone interact. energy: -0.113 local terms energy: -32.980697 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -44.592752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.592752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.592752 (E_RNA) where: Base-Base interactions energy: -17.546 where: short stacking energy: -17.546 Base-Backbone interact. energy: -0.000 local terms energy: -27.047004 where: bonds (distance) C4'-P energy: -3.754 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -5.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -44.551414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.551414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.551414 (E_RNA) where: Base-Base interactions energy: -14.632 where: short stacking energy: -14.632 Base-Backbone interact. energy: -0.086 local terms energy: -29.834245 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.650 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: 10, replica: 1 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -46.953221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.953221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.953221 (E_RNA) where: Base-Base interactions energy: -15.913 where: short stacking energy: -13.419 Base-Backbone interact. energy: -0.059 local terms energy: -30.980380 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -69.880348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.880348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.880348 (E_RNA) where: Base-Base interactions energy: -36.376 where: short stacking energy: -17.686 Base-Backbone interact. energy: -0.089 local terms energy: -33.415638 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -5.055 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: 2, replica: 10 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -64.276677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.276677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.276677 (E_RNA) where: Base-Base interactions energy: -28.412 where: short stacking energy: -28.412 Base-Backbone interact. energy: -0.001 local terms energy: -35.863356 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -7.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -62.421118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.421118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.421118 (E_RNA) where: Base-Base interactions energy: -26.515 where: short stacking energy: -20.289 Base-Backbone interact. energy: -0.048 local terms energy: -35.857428 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.476 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -62.497662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.497662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.497662 (E_RNA) where: Base-Base interactions energy: -31.235 where: short stacking energy: -19.044 Base-Backbone interact. energy: -0.109 local terms energy: -31.153802 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -3.662 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: 5, replica: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -47.647737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.647737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.647737 (E_RNA) where: Base-Base interactions energy: -18.078 where: short stacking energy: -18.078 Base-Backbone interact. energy: -0.101 local terms energy: -29.469507 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -9.136 flat angles P-C4'-P energy: -3.470 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: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -56.794918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.794918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.794918 (E_RNA) where: Base-Base interactions energy: -22.487 where: short stacking energy: -22.487 Base-Backbone interact. energy: -0.001 local terms energy: -34.306897 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -56.632760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.632760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.632760 (E_RNA) where: Base-Base interactions energy: -33.920 where: short stacking energy: -27.688 Base-Backbone interact. energy: -0.031 local terms energy: -22.681680 where: bonds (distance) C4'-P energy: -1.614 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -1.859 tors. eta vs tors. theta energy: -6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -45.240902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.240902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.240902 (E_RNA) where: Base-Base interactions energy: -16.479 where: short stacking energy: -16.479 Base-Backbone interact. energy: -0.129 local terms energy: -28.632601 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -5.702 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: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -40.205629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.205629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.205629 (E_RNA) where: Base-Base interactions energy: -20.593 where: short stacking energy: -15.397 Base-Backbone interact. energy: 0.140 local terms energy: -19.752459 where: bonds (distance) C4'-P energy: 0.290 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: 0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -42.303764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.303764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.303764 (E_RNA) where: Base-Base interactions energy: -16.363 where: short stacking energy: -16.363 Base-Backbone interact. energy: -0.062 local terms energy: -25.879181 where: bonds (distance) C4'-P energy: -0.960 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.683 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -68.611707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.611707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.611707 (E_RNA) where: Base-Base interactions energy: -32.260 where: short stacking energy: -26.468 Base-Backbone interact. energy: -0.000 local terms energy: -36.351347 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.303 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -57.677800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.677800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.677800 (E_RNA) where: Base-Base interactions energy: -24.355 where: short stacking energy: -24.355 Base-Backbone interact. energy: -0.098 local terms energy: -33.225080 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -3.835 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: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -55.417548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.417548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.417548 (E_RNA) where: Base-Base interactions energy: -20.472 where: short stacking energy: -20.432 Base-Backbone interact. energy: -0.000 local terms energy: -34.945574 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -7.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -53.900075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.900075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.900075 (E_RNA) where: Base-Base interactions energy: -19.261 where: short stacking energy: -19.011 Base-Backbone interact. energy: -0.000 local terms energy: -34.638494 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -63.288758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.288758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.288758 (E_RNA) where: Base-Base interactions energy: -24.745 where: short stacking energy: -21.497 Base-Backbone interact. energy: -0.002 local terms energy: -38.542068 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -9.515 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: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -49.258188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.258188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.258188 (E_RNA) where: Base-Base interactions energy: -19.790 where: short stacking energy: -19.790 Base-Backbone interact. energy: -0.001 local terms energy: -29.467876 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -1.732 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: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -49.295895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.295895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.295895 (E_RNA) where: Base-Base interactions energy: -26.231 where: short stacking energy: -12.379 Base-Backbone interact. energy: -0.624 local terms energy: -22.441172 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -4.888 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: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -49.438465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.438465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.438465 (E_RNA) where: Base-Base interactions energy: -19.906 where: short stacking energy: -19.906 Base-Backbone interact. energy: -0.000 local terms energy: -29.532185 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -5.571 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: 9, replica: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -44.565905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.565905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.565905 (E_RNA) where: Base-Base interactions energy: -18.418 where: short stacking energy: -18.418 Base-Backbone interact. energy: -0.026 local terms energy: -26.122366 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -6.291 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: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -42.686051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.686051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.686051 (E_RNA) where: Base-Base interactions energy: -19.975 where: short stacking energy: -15.100 Base-Backbone interact. energy: -0.054 local terms energy: -22.657206 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -3.218 flat angles P-C4'-P energy: -2.167 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -67.013430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.013430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.013430 (E_RNA) where: Base-Base interactions energy: -36.826 where: short stacking energy: -25.160 Base-Backbone interact. energy: -0.042 local terms energy: -30.145363 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -60.272051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.272051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.272051 (E_RNA) where: Base-Base interactions energy: -28.303 where: short stacking energy: -24.827 Base-Backbone interact. energy: -0.001 local terms energy: -31.968133 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -5.111 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: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -59.652655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.652655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.652655 (E_RNA) where: Base-Base interactions energy: -33.242 where: short stacking energy: -10.949 Base-Backbone interact. energy: -0.020 local terms energy: -26.390268 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: 0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -51.098990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.098990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.098990 (E_RNA) where: Base-Base interactions energy: -19.533 where: short stacking energy: -19.533 Base-Backbone interact. energy: -0.021 local terms energy: -31.545940 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -4.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -53.575960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.575960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.575960 (E_RNA) where: Base-Base interactions energy: -26.943 where: short stacking energy: -17.117 Base-Backbone interact. energy: -0.001 local terms energy: -26.631646 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -55.876089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.876089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.876089 (E_RNA) where: Base-Base interactions energy: -24.163 where: short stacking energy: -21.064 Base-Backbone interact. energy: -0.034 local terms energy: -31.679721 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -45.010439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.010439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.010439 (E_RNA) where: Base-Base interactions energy: -17.932 where: short stacking energy: -17.932 Base-Backbone interact. energy: -0.000 local terms energy: -27.078301 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -3.707 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: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -50.478374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.478374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.478374 (E_RNA) where: Base-Base interactions energy: -17.403 where: short stacking energy: -17.403 Base-Backbone interact. energy: 0.052 local terms energy: -33.127072 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -43.785464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.785464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.785464 (E_RNA) where: Base-Base interactions energy: -16.930 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.028 local terms energy: -26.827601 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -2.103 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: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -44.318996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.318996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.318996 (E_RNA) where: Base-Base interactions energy: -16.318 where: short stacking energy: -16.318 Base-Backbone interact. energy: -0.099 local terms energy: -27.901538 where: bonds (distance) C4'-P energy: -3.693 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -7.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -71.521930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.521930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.521930 (E_RNA) where: Base-Base interactions energy: -34.520 where: short stacking energy: -34.520 Base-Backbone interact. energy: -0.008 local terms energy: -36.993951 where: bonds (distance) C4'-P energy: -6.273 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -8.444 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: 10 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -66.963102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.963102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.963102 (E_RNA) where: Base-Base interactions energy: -26.571 where: short stacking energy: -26.571 Base-Backbone interact. energy: -0.000 local terms energy: -40.391944 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -9.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -54.723540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.723540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.723540 (E_RNA) where: Base-Base interactions energy: -23.337 where: short stacking energy: -23.337 Base-Backbone interact. energy: -0.826 local terms energy: -30.561513 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -73.680462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.680462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.680462 (E_RNA) where: Base-Base interactions energy: -39.757 where: short stacking energy: -25.027 Base-Backbone interact. energy: -0.014 local terms energy: -33.908929 where: bonds (distance) C4'-P energy: -5.046 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -6.242 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: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -53.297359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.297359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.297359 (E_RNA) where: Base-Base interactions energy: -20.173 where: short stacking energy: -20.173 Base-Backbone interact. energy: -0.036 local terms energy: -33.089139 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -1.712 tors. eta vs tors. theta energy: -7.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -58.305712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.305712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.305712 (E_RNA) where: Base-Base interactions energy: -22.928 where: short stacking energy: -22.928 Base-Backbone interact. energy: -0.002 local terms energy: -35.376033 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -44.711156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.711156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.711156 (E_RNA) where: Base-Base interactions energy: -13.120 where: short stacking energy: -13.120 Base-Backbone interact. energy: -0.065 local terms energy: -31.526287 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -6.294 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: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -49.710586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.710586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.710586 (E_RNA) where: Base-Base interactions energy: -15.928 where: short stacking energy: -15.928 Base-Backbone interact. energy: -0.007 local terms energy: -33.775607 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -42.945393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.945393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.945393 (E_RNA) where: Base-Base interactions energy: -17.378 where: short stacking energy: -17.378 Base-Backbone interact. energy: -0.003 local terms energy: -25.564294 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -43.721839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.721839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.721839 (E_RNA) where: Base-Base interactions energy: -16.982 where: short stacking energy: -12.479 Base-Backbone interact. energy: -0.003 local terms energy: -26.736244 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -4.660 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: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -53.187552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.187552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.187552 (E_RNA) where: Base-Base interactions energy: -22.032 where: short stacking energy: -22.032 Base-Backbone interact. energy: -0.006 local terms energy: -31.149145 where: bonds (distance) C4'-P energy: -5.640 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -52.590142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.590142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.590142 (E_RNA) where: Base-Base interactions energy: -15.111 where: short stacking energy: -15.111 Base-Backbone interact. energy: -0.003 local terms energy: -37.475519 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -53.918475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.918475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.918475 (E_RNA) where: Base-Base interactions energy: -21.168 where: short stacking energy: -16.535 Base-Backbone interact. energy: -0.000 local terms energy: -32.750452 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -70.606457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.606457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.606457 (E_RNA) where: Base-Base interactions energy: -40.348 where: short stacking energy: -19.443 Base-Backbone interact. energy: -0.043 local terms energy: -30.215818 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -5.048 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: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -59.783552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.783552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.783552 (E_RNA) where: Base-Base interactions energy: -26.475 where: short stacking energy: -26.475 Base-Backbone interact. energy: -0.002 local terms energy: -33.306209 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -5.869 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: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -53.824728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.824728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.824728 (E_RNA) where: Base-Base interactions energy: -24.468 where: short stacking energy: -14.964 Base-Backbone interact. energy: -0.008 local terms energy: -29.348663 where: bonds (distance) C4'-P energy: -5.960 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -0.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -58.812684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.812684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.812684 (E_RNA) where: Base-Base interactions energy: -33.493 where: short stacking energy: -11.412 Base-Backbone interact. energy: -0.361 local terms energy: -24.957821 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -1.405 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -47.253628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.253628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.253628 (E_RNA) where: Base-Base interactions energy: -16.248 where: short stacking energy: -16.248 Base-Backbone interact. energy: -0.005 local terms energy: -31.000931 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -39.845443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.845443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.845443 (E_RNA) where: Base-Base interactions energy: -10.838 where: short stacking energy: -10.838 Base-Backbone interact. energy: 1.201 local terms energy: -30.208588 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.869 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: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -39.861989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.861989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.861989 (E_RNA) where: Base-Base interactions energy: -9.467 where: short stacking energy: -9.467 Base-Backbone interact. energy: -0.212 local terms energy: -30.183105 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -58.586763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.586763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.586763 (E_RNA) where: Base-Base interactions energy: -23.654 where: short stacking energy: -23.654 Base-Backbone interact. energy: -0.000 local terms energy: -34.932305 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -6.202 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: 2, replica: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -64.842554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.842554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.842554 (E_RNA) where: Base-Base interactions energy: -34.762 where: short stacking energy: -18.644 Base-Backbone interact. energy: -0.278 local terms energy: -29.802258 where: bonds (distance) C4'-P energy: -3.343 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -55.927148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.927148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.927148 (E_RNA) where: Base-Base interactions energy: -23.458 where: short stacking energy: -23.458 Base-Backbone interact. energy: -0.024 local terms energy: -32.445109 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -58.587527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.587527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.587527 (E_RNA) where: Base-Base interactions energy: -23.809 where: short stacking energy: -23.809 Base-Backbone interact. energy: -0.000 local terms energy: -34.778551 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -5.405 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: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -53.473508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.473508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.473508 (E_RNA) where: Base-Base interactions energy: -17.940 where: short stacking energy: -17.940 Base-Backbone interact. energy: -0.000 local terms energy: -35.533367 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -53.249368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.249368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.249368 (E_RNA) where: Base-Base interactions energy: -23.328 where: short stacking energy: -23.328 Base-Backbone interact. energy: -0.085 local terms energy: -29.837113 where: bonds (distance) C4'-P energy: -3.625 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -49.774384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.774384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.774384 (E_RNA) where: Base-Base interactions energy: -22.507 where: short stacking energy: -20.178 Base-Backbone interact. energy: -0.016 local terms energy: -27.251925 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -4.055 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.779 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: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -47.420239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.420239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.420239 (E_RNA) where: Base-Base interactions energy: -20.953 where: short stacking energy: -20.532 Base-Backbone interact. energy: -0.055 local terms energy: -26.412400 where: bonds (distance) C4'-P energy: -4.264 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -4.896 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: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -45.946494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.946494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.946494 (E_RNA) where: Base-Base interactions energy: -17.456 where: short stacking energy: -17.456 Base-Backbone interact. energy: -0.054 local terms energy: -28.436867 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -2.039 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: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -40.481365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.481365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.481365 (E_RNA) where: Base-Base interactions energy: -16.062 where: short stacking energy: -16.062 Base-Backbone interact. energy: -0.002 local terms energy: -24.416853 where: bonds (distance) C4'-P energy: -8.014 bonds (distance) P-C4' energy: -5.504 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -70.818917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.818917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.818917 (E_RNA) where: Base-Base interactions energy: -32.384 where: short stacking energy: -32.384 Base-Backbone interact. energy: -0.000 local terms energy: -38.435360 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -9.965 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: 2, replica: 9 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -60.185275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.185275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.185275 (E_RNA) where: Base-Base interactions energy: -27.470 where: short stacking energy: -22.220 Base-Backbone interact. energy: -2.297 local terms energy: -30.417478 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -4.620 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: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -63.844821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.844821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.844821 (E_RNA) where: Base-Base interactions energy: -25.080 where: short stacking energy: -25.080 Base-Backbone interact. energy: -0.023 local terms energy: -38.742157 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -6.235 tors. eta vs tors. theta energy: -7.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -61.402599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.402599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.402599 (E_RNA) where: Base-Base interactions energy: -22.391 where: short stacking energy: -22.391 Base-Backbone interact. energy: -0.000 local terms energy: -39.010933 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -8.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -55.589340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.589340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.589340 (E_RNA) where: Base-Base interactions energy: -22.994 where: short stacking energy: -22.994 Base-Backbone interact. energy: -0.000 local terms energy: -32.594700 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -6.711 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: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -50.873634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.873634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.873634 (E_RNA) where: Base-Base interactions energy: -19.561 where: short stacking energy: -13.916 Base-Backbone interact. energy: -0.052 local terms energy: -31.261088 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -55.271529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.271529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.271529 (E_RNA) where: Base-Base interactions energy: -29.272 where: short stacking energy: -18.050 Base-Backbone interact. energy: -0.049 local terms energy: -25.951331 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -2.985 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: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -53.868140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.868140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.868140 (E_RNA) where: Base-Base interactions energy: -20.569 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.978 local terms energy: -32.321848 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -3.655 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: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -48.703988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.703988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.703988 (E_RNA) where: Base-Base interactions energy: -23.063 where: short stacking energy: -14.283 Base-Backbone interact. energy: -0.004 local terms energy: -25.637296 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -55.524829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.524829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.524829 (E_RNA) where: Base-Base interactions energy: -23.414 where: short stacking energy: -18.100 Base-Backbone interact. energy: -0.020 local terms energy: -32.090954 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -5.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -81.971881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.971881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.971881 (E_RNA) where: Base-Base interactions energy: -44.277 where: short stacking energy: -27.085 Base-Backbone interact. energy: -0.550 local terms energy: -37.145237 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -6.328 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: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -68.091205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.091205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.091205 (E_RNA) where: Base-Base interactions energy: -31.870 where: short stacking energy: -31.870 Base-Backbone interact. energy: -0.000 local terms energy: -36.221492 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -10.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -58.056720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.056720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.056720 (E_RNA) where: Base-Base interactions energy: -23.744 where: short stacking energy: -23.744 Base-Backbone interact. energy: -0.061 local terms energy: -34.251787 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -6.321 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: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -53.594316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.594316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.594316 (E_RNA) where: Base-Base interactions energy: -20.357 where: short stacking energy: -20.357 Base-Backbone interact. energy: -0.098 local terms energy: -33.138980 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -6.418 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -5.368 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: 5, replica: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -58.821476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.821476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.821476 (E_RNA) where: Base-Base interactions energy: -33.316 where: short stacking energy: -23.074 Base-Backbone interact. energy: -0.071 local terms energy: -25.434446 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -50.641894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.641894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.641894 (E_RNA) where: Base-Base interactions energy: -24.725 where: short stacking energy: -24.725 Base-Backbone interact. energy: -0.000 local terms energy: -25.916483 where: bonds (distance) C4'-P energy: -5.886 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -42.499658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.499658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.499658 (E_RNA) where: Base-Base interactions energy: -15.844 where: short stacking energy: -15.398 Base-Backbone interact. energy: -0.047 local terms energy: -26.609037 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -48.218810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.218810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.218810 (E_RNA) where: Base-Base interactions energy: -12.861 where: short stacking energy: -12.861 Base-Backbone interact. energy: -0.028 local terms energy: -35.329818 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -6.384 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: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -44.681742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.681742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.681742 (E_RNA) where: Base-Base interactions energy: -22.378 where: short stacking energy: -15.905 Base-Backbone interact. energy: -0.016 local terms energy: -22.287672 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.244 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -44.083085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.083085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.083085 (E_RNA) where: Base-Base interactions energy: -18.949 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.183 local terms energy: -24.951205 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -7.067 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: 1, replica: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -72.410968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.410968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.410968 (E_RNA) where: Base-Base interactions energy: -40.566 where: short stacking energy: -27.612 Base-Backbone interact. energy: -0.685 local terms energy: -31.160068 where: bonds (distance) C4'-P energy: -5.046 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -68.269310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.269310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.269310 (E_RNA) where: Base-Base interactions energy: -38.571 where: short stacking energy: -18.858 Base-Backbone interact. energy: -0.000 local terms energy: -29.698524 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -3.873 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: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -61.414813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.414813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.414813 (E_RNA) where: Base-Base interactions energy: -26.618 where: short stacking energy: -26.618 Base-Backbone interact. energy: -0.000 local terms energy: -34.796945 where: bonds (distance) C4'-P energy: -4.890 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -8.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -68.602371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.602371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.602371 (E_RNA) where: Base-Base interactions energy: -37.651 where: short stacking energy: -31.214 Base-Backbone interact. energy: -0.004 local terms energy: -30.947094 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -7.840 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: 33 Temperature: 1.100000 Total energy: -47.985347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.985347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.985347 (E_RNA) where: Base-Base interactions energy: -22.917 where: short stacking energy: -16.884 Base-Backbone interact. energy: -0.270 local terms energy: -24.797984 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -2.822 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: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -44.276165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.276165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.276165 (E_RNA) where: Base-Base interactions energy: -17.891 where: short stacking energy: -17.891 Base-Backbone interact. energy: -0.053 local terms energy: -26.332142 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -4.449 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: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -54.422572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.422572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.422572 (E_RNA) where: Base-Base interactions energy: -21.721 where: short stacking energy: -21.721 Base-Backbone interact. energy: -0.001 local terms energy: -32.700987 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -54.189743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.189743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.189743 (E_RNA) where: Base-Base interactions energy: -23.280 where: short stacking energy: -14.076 Base-Backbone interact. energy: -2.453 local terms energy: -28.456463 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -6.515 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -47.501754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.501754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.501754 (E_RNA) where: Base-Base interactions energy: -16.930 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.000 local terms energy: -30.572118 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -2.856 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: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -41.544603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.544603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.544603 (E_RNA) where: Base-Base interactions energy: -13.120 where: short stacking energy: -12.059 Base-Backbone interact. energy: -0.165 local terms energy: -28.258898 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -72.201923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.201923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.201923 (E_RNA) where: Base-Base interactions energy: -39.101 where: short stacking energy: -21.135 Base-Backbone interact. energy: 0.016 local terms energy: -33.116844 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -79.569553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.569553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.569553 (E_RNA) where: Base-Base interactions energy: -42.826 where: short stacking energy: -26.111 Base-Backbone interact. energy: -0.003 local terms energy: -36.740409 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -5.581 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: 3, replica: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -71.878089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.878089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.878089 (E_RNA) where: Base-Base interactions energy: -35.325 where: short stacking energy: -22.166 Base-Backbone interact. energy: -0.309 local terms energy: -36.243854 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -50.019336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.019336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.019336 (E_RNA) where: Base-Base interactions energy: -23.728 where: short stacking energy: -15.583 Base-Backbone interact. energy: -0.028 local terms energy: -26.263378 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -3.579 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: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -46.651587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.651587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.651587 (E_RNA) where: Base-Base interactions energy: -18.440 where: short stacking energy: -18.440 Base-Backbone interact. energy: -0.014 local terms energy: -28.196896 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -51.631077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.631077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.631077 (E_RNA) where: Base-Base interactions energy: -20.267 where: short stacking energy: -20.267 Base-Backbone interact. energy: -0.024 local terms energy: -31.340616 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -6.408 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: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -48.322742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.322742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.322742 (E_RNA) where: Base-Base interactions energy: -22.570 where: short stacking energy: -22.570 Base-Backbone interact. energy: 0.300 local terms energy: -26.052799 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -2.437 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: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -52.716782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.716782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.716782 (E_RNA) where: Base-Base interactions energy: -19.956 where: short stacking energy: -19.956 Base-Backbone interact. energy: -0.000 local terms energy: -32.760179 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -39.629336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.629336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.629336 (E_RNA) where: Base-Base interactions energy: -13.082 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.038 local terms energy: -26.509758 where: bonds (distance) C4'-P energy: -6.909 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -4.631 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: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -40.679506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.679506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.679506 (E_RNA) where: Base-Base interactions energy: -10.962 where: short stacking energy: -9.176 Base-Backbone interact. energy: -0.094 local terms energy: -29.623562 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -55.007927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.007927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.007927 (E_RNA) where: Base-Base interactions energy: -23.815 where: short stacking energy: -23.815 Base-Backbone interact. energy: -0.212 local terms energy: -30.981767 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -2.422 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -73.091052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.091052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.091052 (E_RNA) where: Base-Base interactions energy: -36.938 where: short stacking energy: -29.422 Base-Backbone interact. energy: -0.113 local terms energy: -36.039647 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -56.282653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.282653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.282653 (E_RNA) where: Base-Base interactions energy: -24.730 where: short stacking energy: -24.730 Base-Backbone interact. energy: -0.016 local terms energy: -31.536412 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -7.272 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: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -64.729478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.729478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.729478 (E_RNA) where: Base-Base interactions energy: -32.563 where: short stacking energy: -24.723 Base-Backbone interact. energy: -0.030 local terms energy: -32.136016 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -52.201821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.201821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.201821 (E_RNA) where: Base-Base interactions energy: -18.890 where: short stacking energy: -18.890 Base-Backbone interact. energy: -0.155 local terms energy: -33.156388 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -55.796743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.796743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.796743 (E_RNA) where: Base-Base interactions energy: -23.383 where: short stacking energy: -23.383 Base-Backbone interact. energy: -0.001 local terms energy: -32.412593 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -4.777 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: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -51.208835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.208835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.208835 (E_RNA) where: Base-Base interactions energy: -19.168 where: short stacking energy: -19.168 Base-Backbone interact. energy: -0.000 local terms energy: -32.040519 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -39.774841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.774841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.774841 (E_RNA) where: Base-Base interactions energy: -12.075 where: short stacking energy: -12.075 Base-Backbone interact. energy: -0.191 local terms energy: -27.508749 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -0.311 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: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -39.929887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.929887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.929887 (E_RNA) where: Base-Base interactions energy: -12.053 where: short stacking energy: -8.269 Base-Backbone interact. energy: -0.124 local terms energy: -27.752821 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -3.790 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -2.445 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: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -46.191281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.191281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.191281 (E_RNA) where: Base-Base interactions energy: -19.748 where: short stacking energy: -17.795 Base-Backbone interact. energy: -0.040 local terms energy: -26.403255 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -4.164 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: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -58.665531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.665531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.665531 (E_RNA) where: Base-Base interactions energy: -26.382 where: short stacking energy: -16.688 Base-Backbone interact. energy: -0.160 local terms energy: -32.124078 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -64.337347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.337347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.337347 (E_RNA) where: Base-Base interactions energy: -32.397 where: short stacking energy: -22.797 Base-Backbone interact. energy: -0.516 local terms energy: -31.424643 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -62.657274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.657274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.657274 (E_RNA) where: Base-Base interactions energy: -33.174 where: short stacking energy: -17.140 Base-Backbone interact. energy: -0.198 local terms energy: -29.284327 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -52.698264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.698264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.698264 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.000 local terms energy: -31.081541 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -4.449 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: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -47.745152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.745152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.745152 (E_RNA) where: Base-Base interactions energy: -20.541 where: short stacking energy: -20.541 Base-Backbone interact. energy: -0.191 local terms energy: -27.013587 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -48.024279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.024279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.024279 (E_RNA) where: Base-Base interactions energy: -22.560 where: short stacking energy: -22.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.463805 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: 0.451 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: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -48.559508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.559508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.559508 (E_RNA) where: Base-Base interactions energy: -15.708 where: short stacking energy: -15.708 Base-Backbone interact. energy: -0.000 local terms energy: -32.851643 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -2.023 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: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -45.616466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.616466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.616466 (E_RNA) where: Base-Base interactions energy: -19.286 where: short stacking energy: -16.209 Base-Backbone interact. energy: -0.044 local terms energy: -26.286472 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -48.658556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.658556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.658556 (E_RNA) where: Base-Base interactions energy: -19.194 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.091 local terms energy: -29.373682 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -41.392477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.392477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.392477 (E_RNA) where: Base-Base interactions energy: -14.846 where: short stacking energy: -14.846 Base-Backbone interact. energy: -0.007 local terms energy: -26.538802 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -62.807471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.807471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.807471 (E_RNA) where: Base-Base interactions energy: -29.208 where: short stacking energy: -26.986 Base-Backbone interact. energy: -0.147 local terms energy: -33.452778 where: bonds (distance) C4'-P energy: -7.861 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -7.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -63.801434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.801434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.801434 (E_RNA) where: Base-Base interactions energy: -36.239 where: short stacking energy: -23.266 Base-Backbone interact. energy: -0.064 local terms energy: -27.497562 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -65.816346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.816346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.816346 (E_RNA) where: Base-Base interactions energy: -34.419 where: short stacking energy: -20.151 Base-Backbone interact. energy: -0.000 local terms energy: -31.396950 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -6.014 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: 4, replica: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -54.091611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.091611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.091611 (E_RNA) where: Base-Base interactions energy: -19.151 where: short stacking energy: -19.151 Base-Backbone interact. energy: -0.100 local terms energy: -34.840737 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: -7.062 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: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -47.616693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.616693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.616693 (E_RNA) where: Base-Base interactions energy: -16.892 where: short stacking energy: -16.892 Base-Backbone interact. energy: -0.015 local terms energy: -30.709655 where: bonds (distance) C4'-P energy: -4.906 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -5.668 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: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -50.332915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.332915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.332915 (E_RNA) where: Base-Base interactions energy: -14.580 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.037 local terms energy: -35.715375 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -5.173 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: 7, replica: 8 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -47.627640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.627640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.627640 (E_RNA) where: Base-Base interactions energy: -22.253 where: short stacking energy: -22.253 Base-Backbone interact. energy: -0.000 local terms energy: -25.374585 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.017 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -53.236947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.236947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.236947 (E_RNA) where: Base-Base interactions energy: -21.873 where: short stacking energy: -20.108 Base-Backbone interact. energy: -0.073 local terms energy: -31.291514 where: bonds (distance) C4'-P energy: -4.550 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -5.605 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: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -44.686832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.686832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.686832 (E_RNA) where: Base-Base interactions energy: -23.218 where: short stacking energy: -23.218 Base-Backbone interact. energy: -0.019 local terms energy: -21.449773 where: bonds (distance) C4'-P energy: -3.204 bonds (distance) P-C4' energy: -3.276 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -41.692077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.692077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.692077 (E_RNA) where: Base-Base interactions energy: -14.772 where: short stacking energy: -14.772 Base-Backbone interact. energy: -0.138 local terms energy: -26.782382 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -58.748996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.748996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.748996 (E_RNA) where: Base-Base interactions energy: -24.063 where: short stacking energy: -22.570 Base-Backbone interact. energy: -0.038 local terms energy: -34.648141 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -6.164 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: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -63.771119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.771119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.771119 (E_RNA) where: Base-Base interactions energy: -29.407 where: short stacking energy: -29.407 Base-Backbone interact. energy: -0.000 local terms energy: -34.364040 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.106 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -59.892513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.892513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.892513 (E_RNA) where: Base-Base interactions energy: -33.418 where: short stacking energy: -13.220 Base-Backbone interact. energy: -0.076 local terms energy: -26.398485 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -57.982574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.982574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.982574 (E_RNA) where: Base-Base interactions energy: -26.340 where: short stacking energy: -26.340 Base-Backbone interact. energy: -0.002 local terms energy: -31.641198 where: bonds (distance) C4'-P energy: -3.312 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -5.892 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: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -50.282824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.282824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.282824 (E_RNA) where: Base-Base interactions energy: -18.811 where: short stacking energy: -18.811 Base-Backbone interact. energy: -0.035 local terms energy: -31.436850 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.626 flat angles P-C4'-P energy: -4.881 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: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -57.494398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.494398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.494398 (E_RNA) where: Base-Base interactions energy: -27.542 where: short stacking energy: -20.182 Base-Backbone interact. energy: -0.063 local terms energy: -29.889516 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -5.935 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -46.024839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.024839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.024839 (E_RNA) where: Base-Base interactions energy: -17.700 where: short stacking energy: -11.559 Base-Backbone interact. energy: 0.166 local terms energy: -28.490081 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -44.881687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.881687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.881687 (E_RNA) where: Base-Base interactions energy: -20.003 where: short stacking energy: -20.003 Base-Backbone interact. energy: -0.004 local terms energy: -24.875450 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -3.369 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -42.187379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.187379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.187379 (E_RNA) where: Base-Base interactions energy: -22.871 where: short stacking energy: -8.205 Base-Backbone interact. energy: -0.157 local terms energy: -19.159336 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: 4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -44.254683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.254683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.254683 (E_RNA) where: Base-Base interactions energy: -12.402 where: short stacking energy: -12.402 Base-Backbone interact. energy: -0.000 local terms energy: -31.852913 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -0.773 tors. eta vs tors. theta energy: -5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -60.143335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.143335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.143335 (E_RNA) where: Base-Base interactions energy: -25.778 where: short stacking energy: -18.491 Base-Backbone interact. energy: -0.879 local terms energy: -33.486595 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -5.643 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: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -57.606265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.606265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.606265 (E_RNA) where: Base-Base interactions energy: -24.942 where: short stacking energy: -24.942 Base-Backbone interact. energy: -0.027 local terms energy: -32.637238 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -4.691 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: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -60.465214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.465214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.465214 (E_RNA) where: Base-Base interactions energy: -26.279 where: short stacking energy: -26.279 Base-Backbone interact. energy: -0.000 local terms energy: -34.186401 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -48.258322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.258322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.258322 (E_RNA) where: Base-Base interactions energy: -19.454 where: short stacking energy: -11.962 Base-Backbone interact. energy: -0.097 local terms energy: -28.707440 where: bonds (distance) C4'-P energy: -6.827 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -52.939325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.939325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.939325 (E_RNA) where: Base-Base interactions energy: -19.000 where: short stacking energy: -19.000 Base-Backbone interact. energy: -0.021 local terms energy: -33.918251 where: bonds (distance) C4'-P energy: -5.567 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -3.954 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: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -52.554878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.554878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.554878 (E_RNA) where: Base-Base interactions energy: -30.705 where: short stacking energy: -20.884 Base-Backbone interact. energy: 0.131 local terms energy: -21.981340 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -1.452 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -45.128119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.128119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.128119 (E_RNA) where: Base-Base interactions energy: -22.108 where: short stacking energy: -4.190 Base-Backbone interact. energy: -0.090 local terms energy: -22.930480 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: 0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -52.565549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.565549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.565549 (E_RNA) where: Base-Base interactions energy: -20.227 where: short stacking energy: -19.762 Base-Backbone interact. energy: -0.001 local terms energy: -32.337113 where: bonds (distance) C4'-P energy: -6.760 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -44.116725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.116725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.116725 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.119 local terms energy: -32.241633 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.561 flat angles P-C4'-P energy: -4.586 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: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -40.877176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.877176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.877176 (E_RNA) where: Base-Base interactions energy: -11.840 where: short stacking energy: -11.840 Base-Backbone interact. energy: -0.000 local terms energy: -29.036466 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -66.800996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.800996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.800996 (E_RNA) where: Base-Base interactions energy: -30.210 where: short stacking energy: -30.210 Base-Backbone interact. energy: -0.000 local terms energy: -36.590529 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -9.022 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: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -62.012607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.012607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.012607 (E_RNA) where: Base-Base interactions energy: -25.839 where: short stacking energy: -25.839 Base-Backbone interact. energy: -0.000 local terms energy: -36.172983 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -9.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -79.664166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.664166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.664166 (E_RNA) where: Base-Base interactions energy: -48.176 where: short stacking energy: -28.047 Base-Backbone interact. energy: -0.011 local terms energy: -31.477202 where: bonds (distance) C4'-P energy: -5.463 bonds (distance) P-C4' energy: -7.193 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -56.089471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.089471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.089471 (E_RNA) where: Base-Base interactions energy: -24.714 where: short stacking energy: -21.507 Base-Backbone interact. energy: 0.317 local terms energy: -31.692997 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -56.180727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.180727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.180727 (E_RNA) where: Base-Base interactions energy: -22.051 where: short stacking energy: -22.051 Base-Backbone interact. energy: -0.002 local terms energy: -34.127909 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -8.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -61.894771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.894771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.894771 (E_RNA) where: Base-Base interactions energy: -31.961 where: short stacking energy: -31.961 Base-Backbone interact. energy: -0.014 local terms energy: -29.919890 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -1.065 tors. eta vs tors. theta energy: -8.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -53.554678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.554678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.554678 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -23.405 Base-Backbone interact. energy: -0.015 local terms energy: -30.134898 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -43.935152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.935152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.935152 (E_RNA) where: Base-Base interactions energy: -20.484 where: short stacking energy: -18.565 Base-Backbone interact. energy: -0.456 local terms energy: -22.995389 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -4.903 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -6.281 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: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -48.708537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.708537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.708537 (E_RNA) where: Base-Base interactions energy: -20.929 where: short stacking energy: -11.487 Base-Backbone interact. energy: -0.026 local terms energy: -27.753862 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -3.994 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: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -46.330579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.330579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.330579 (E_RNA) where: Base-Base interactions energy: -21.956 where: short stacking energy: -16.624 Base-Backbone interact. energy: 0.224 local terms energy: -24.598162 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: 0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -64.020701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.020701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.020701 (E_RNA) where: Base-Base interactions energy: -30.289 where: short stacking energy: -30.289 Base-Backbone interact. energy: -0.007 local terms energy: -33.724552 where: bonds (distance) C4'-P energy: -7.066 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -64.787397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.787397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.787397 (E_RNA) where: Base-Base interactions energy: -29.255 where: short stacking energy: -29.255 Base-Backbone interact. energy: -0.007 local terms energy: -35.526011 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -5.210 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: 9 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -58.468849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.468849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.468849 (E_RNA) where: Base-Base interactions energy: -23.320 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.002 local terms energy: -35.146772 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -3.444 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: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -59.669133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.669133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.669133 (E_RNA) where: Base-Base interactions energy: -22.908 where: short stacking energy: -22.908 Base-Backbone interact. energy: -0.008 local terms energy: -36.753365 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -9.267 flat angles P-C4'-P energy: -6.839 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: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -58.829514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.829514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.829514 (E_RNA) where: Base-Base interactions energy: -28.757 where: short stacking energy: -17.842 Base-Backbone interact. energy: -0.064 local terms energy: -30.008177 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -3.019 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -6.166 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: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -46.207210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.207210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.207210 (E_RNA) where: Base-Base interactions energy: -21.718 where: short stacking energy: -20.433 Base-Backbone interact. energy: -0.037 local terms energy: -24.452412 where: bonds (distance) C4'-P energy: -2.802 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -47.935514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.935514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.935514 (E_RNA) where: Base-Base interactions energy: -15.261 where: short stacking energy: -15.261 Base-Backbone interact. energy: -0.027 local terms energy: -32.647609 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.728 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: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -42.772515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.772515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.772515 (E_RNA) where: Base-Base interactions energy: -17.930 where: short stacking energy: -9.975 Base-Backbone interact. energy: -0.064 local terms energy: -24.778042 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -3.000 flat angles P-C4'-P energy: -5.045 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: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -47.766454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.766454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.766454 (E_RNA) where: Base-Base interactions energy: -16.913 where: short stacking energy: -16.913 Base-Backbone interact. energy: -0.377 local terms energy: -30.476036 where: bonds (distance) C4'-P energy: -7.247 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -42.921121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.921121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.921121 (E_RNA) where: Base-Base interactions energy: -16.049 where: short stacking energy: -13.680 Base-Backbone interact. energy: 0.602 local terms energy: -27.473770 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -7.395 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -3.722 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: 1, replica: 1 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -61.009573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.009573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.009573 (E_RNA) where: Base-Base interactions energy: -29.840 where: short stacking energy: -29.396 Base-Backbone interact. energy: -0.000 local terms energy: -31.169016 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -66.706330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.706330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.706330 (E_RNA) where: Base-Base interactions energy: -32.559 where: short stacking energy: -14.343 Base-Backbone interact. energy: -0.705 local terms energy: -33.442989 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -3.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -55.109163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.109163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.109163 (E_RNA) where: Base-Base interactions energy: -23.205 where: short stacking energy: -23.205 Base-Backbone interact. energy: -0.000 local terms energy: -31.903740 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -5.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -56.982094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.982094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.982094 (E_RNA) where: Base-Base interactions energy: -22.154 where: short stacking energy: -22.154 Base-Backbone interact. energy: -0.001 local terms energy: -34.826978 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -3.710 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: 5, replica: 10 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -62.437110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.437110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.437110 (E_RNA) where: Base-Base interactions energy: -28.266 where: short stacking energy: -19.645 Base-Backbone interact. energy: -0.107 local terms energy: -34.064517 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -6.333 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: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -56.447313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.447313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.447313 (E_RNA) where: Base-Base interactions energy: -22.354 where: short stacking energy: -22.354 Base-Backbone interact. energy: -0.001 local terms energy: -34.092216 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -6.294 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: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -46.947876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.947876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.947876 (E_RNA) where: Base-Base interactions energy: -16.018 where: short stacking energy: -16.018 Base-Backbone interact. energy: -0.080 local terms energy: -30.850035 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -43.682501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.682501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.682501 (E_RNA) where: Base-Base interactions energy: -14.541 where: short stacking energy: -14.541 Base-Backbone interact. energy: -0.044 local terms energy: -29.097481 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -46.020435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.020435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.020435 (E_RNA) where: Base-Base interactions energy: -20.915 where: short stacking energy: -20.258 Base-Backbone interact. energy: 0.334 local terms energy: -25.439650 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -46.042592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.042592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.042592 (E_RNA) where: Base-Base interactions energy: -14.986 where: short stacking energy: -14.986 Base-Backbone interact. energy: -0.047 local terms energy: -31.009238 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -68.313241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.313241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.313241 (E_RNA) where: Base-Base interactions energy: -29.628 where: short stacking energy: -29.628 Base-Backbone interact. energy: -0.000 local terms energy: -38.684752 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -9.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -66.898012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.898012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.898012 (E_RNA) where: Base-Base interactions energy: -30.144 where: short stacking energy: -19.640 Base-Backbone interact. energy: -0.064 local terms energy: -36.689230 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -7.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -61.426968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.426968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.426968 (E_RNA) where: Base-Base interactions energy: -27.017 where: short stacking energy: -27.017 Base-Backbone interact. energy: -0.007 local terms energy: -34.403043 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -5.881 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: 10 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -70.098756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.098756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.098756 (E_RNA) where: Base-Base interactions energy: -42.477 where: short stacking energy: -28.821 Base-Backbone interact. energy: -0.003 local terms energy: -27.618847 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -1.935 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: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -56.257761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.257761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.257761 (E_RNA) where: Base-Base interactions energy: -22.617 where: short stacking energy: -22.617 Base-Backbone interact. energy: -0.000 local terms energy: -33.640352 where: bonds (distance) C4'-P energy: -7.157 bonds (distance) P-C4' energy: -8.311 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -5.363 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: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -48.798035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.798035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.798035 (E_RNA) where: Base-Base interactions energy: -19.528 where: short stacking energy: -19.528 Base-Backbone interact. energy: -0.017 local terms energy: -29.253027 where: bonds (distance) C4'-P energy: -3.474 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -5.528 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: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -54.440734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.440734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.440734 (E_RNA) where: Base-Base interactions energy: -23.418 where: short stacking energy: -23.418 Base-Backbone interact. energy: -0.000 local terms energy: -31.022604 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -5.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -41.246137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.246137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.246137 (E_RNA) where: Base-Base interactions energy: -14.892 where: short stacking energy: -14.892 Base-Backbone interact. energy: -0.000 local terms energy: -26.353598 where: bonds (distance) C4'-P energy: -4.732 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -45.834360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.834360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.834360 (E_RNA) where: Base-Base interactions energy: -20.660 where: short stacking energy: -20.660 Base-Backbone interact. energy: -0.386 local terms energy: -24.789129 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -4.802 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -4.728 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: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -43.103699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.103699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.103699 (E_RNA) where: Base-Base interactions energy: -18.325 where: short stacking energy: -18.325 Base-Backbone interact. energy: 0.460 local terms energy: -25.238543 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -67.281392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.281392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.281392 (E_RNA) where: Base-Base interactions energy: -27.535 where: short stacking energy: -27.535 Base-Backbone interact. energy: -0.000 local terms energy: -39.746011 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: -9.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -65.015319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.015319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.015319 (E_RNA) where: Base-Base interactions energy: -34.644 where: short stacking energy: -22.085 Base-Backbone interact. energy: -0.035 local terms energy: -30.336123 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -5.216 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -5.059 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: 3, replica: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -56.174398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.174398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.174398 (E_RNA) where: Base-Base interactions energy: -24.167 where: short stacking energy: -19.143 Base-Backbone interact. energy: -1.059 local terms energy: -30.948131 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -63.644939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.644939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.644939 (E_RNA) where: Base-Base interactions energy: -24.913 where: short stacking energy: -24.913 Base-Backbone interact. energy: -0.000 local terms energy: -38.732301 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -6.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -50.672456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.672456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.672456 (E_RNA) where: Base-Base interactions energy: -22.476 where: short stacking energy: -22.476 Base-Backbone interact. energy: -0.071 local terms energy: -28.125915 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -2.890 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: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -47.665602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.665602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.665602 (E_RNA) where: Base-Base interactions energy: -20.331 where: short stacking energy: -20.331 Base-Backbone interact. energy: -0.060 local terms energy: -27.274812 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -6.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -48.397156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.397156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.397156 (E_RNA) where: Base-Base interactions energy: -20.758 where: short stacking energy: -20.758 Base-Backbone interact. energy: -0.067 local terms energy: -27.571474 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -9.641 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -44.966586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.966586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.966586 (E_RNA) where: Base-Base interactions energy: -15.327 where: short stacking energy: -15.327 Base-Backbone interact. energy: -0.036 local terms energy: -29.603628 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -5.047 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: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -47.893957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.893957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.893957 (E_RNA) where: Base-Base interactions energy: -19.999 where: short stacking energy: -16.787 Base-Backbone interact. energy: -0.071 local terms energy: -27.823964 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -45.613501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.613501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.613501 (E_RNA) where: Base-Base interactions energy: -18.676 where: short stacking energy: -18.676 Base-Backbone interact. energy: -0.024 local terms energy: -26.913793 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: 0.044 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: 1 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -60.614276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.614276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.614276 (E_RNA) where: Base-Base interactions energy: -25.499 where: short stacking energy: -25.499 Base-Backbone interact. energy: -0.000 local terms energy: -35.114738 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -6.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -73.165245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.165245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.165245 (E_RNA) where: Base-Base interactions energy: -40.884 where: short stacking energy: -16.925 Base-Backbone interact. energy: -0.008 local terms energy: -32.273894 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -67.210451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.210451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.210451 (E_RNA) where: Base-Base interactions energy: -34.385 where: short stacking energy: -22.831 Base-Backbone interact. energy: -0.056 local terms energy: -32.769239 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -2.690 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: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -57.734294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.734294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.734294 (E_RNA) where: Base-Base interactions energy: -25.899 where: short stacking energy: -25.573 Base-Backbone interact. energy: -0.039 local terms energy: -31.795966 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -2.399 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: 5, replica: 7 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -55.695167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.695167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.695167 (E_RNA) where: Base-Base interactions energy: -21.905 where: short stacking energy: -21.905 Base-Backbone interact. energy: -0.002 local terms energy: -33.788194 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -4.444 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: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -50.097969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.097969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.097969 (E_RNA) where: Base-Base interactions energy: -21.828 where: short stacking energy: -18.623 Base-Backbone interact. energy: -0.001 local terms energy: -28.269167 where: bonds (distance) C4'-P energy: -4.799 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -47.680150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.680150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.680150 (E_RNA) where: Base-Base interactions energy: -17.547 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.177 local terms energy: -29.956174 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -5.204 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: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -42.466286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.466286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.466286 (E_RNA) where: Base-Base interactions energy: -13.035 where: short stacking energy: -13.035 Base-Backbone interact. energy: -0.107 local terms energy: -29.323916 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -55.154589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.154589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.154589 (E_RNA) where: Base-Base interactions energy: -21.190 where: short stacking energy: -19.484 Base-Backbone interact. energy: -0.000 local terms energy: -33.964523 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -5.951 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: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -41.795624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.795624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.795624 (E_RNA) where: Base-Base interactions energy: -12.357 where: short stacking energy: -12.357 Base-Backbone interact. energy: -0.181 local terms energy: -29.257610 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -78.476036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.476036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.476036 (E_RNA) where: Base-Base interactions energy: -43.455 where: short stacking energy: -23.190 Base-Backbone interact. energy: -0.126 local terms energy: -34.894509 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -4.706 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: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -56.884399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.884399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.884399 (E_RNA) where: Base-Base interactions energy: -28.369 where: short stacking energy: -21.669 Base-Backbone interact. energy: -0.002 local terms energy: -28.514113 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -60.708715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.708715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.708715 (E_RNA) where: Base-Base interactions energy: -24.929 where: short stacking energy: -24.929 Base-Backbone interact. energy: -0.000 local terms energy: -35.779555 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -59.425656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.425656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.425656 (E_RNA) where: Base-Base interactions energy: -23.333 where: short stacking energy: -23.333 Base-Backbone interact. energy: -0.029 local terms energy: -36.063518 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -6.661 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: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -54.600637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.600637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.600637 (E_RNA) where: Base-Base interactions energy: -18.447 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.096 local terms energy: -36.057337 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -9.040 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -57.735899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.735899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.735899 (E_RNA) where: Base-Base interactions energy: -27.422 where: short stacking energy: -27.422 Base-Backbone interact. energy: -0.005 local terms energy: -30.308736 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -7.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -47.260444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.260444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.260444 (E_RNA) where: Base-Base interactions energy: -18.031 where: short stacking energy: -18.031 Base-Backbone interact. energy: -0.004 local terms energy: -29.225707 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -5.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -54.616181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.616181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.616181 (E_RNA) where: Base-Base interactions energy: -21.882 where: short stacking energy: -18.604 Base-Backbone interact. energy: -0.095 local terms energy: -32.639541 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -38.037807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.037807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.037807 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -9.031 Base-Backbone interact. energy: -0.042 local terms energy: -28.965193 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -0.014 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: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -39.659749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.659749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.659749 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.012 local terms energy: -27.467684 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -4.610 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: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -76.143142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.143142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.143142 (E_RNA) where: Base-Base interactions energy: -41.654 where: short stacking energy: -24.505 Base-Backbone interact. energy: -0.003 local terms energy: -34.485827 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.269 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -7.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -54.322531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.322531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.322531 (E_RNA) where: Base-Base interactions energy: -21.712 where: short stacking energy: -21.712 Base-Backbone interact. energy: -0.057 local terms energy: -32.553219 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.511 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -64.822446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.822446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.822446 (E_RNA) where: Base-Base interactions energy: -32.618 where: short stacking energy: -32.123 Base-Backbone interact. energy: -0.007 local terms energy: -32.197798 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -8.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -57.954347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.954347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.954347 (E_RNA) where: Base-Base interactions energy: -31.170 where: short stacking energy: -14.801 Base-Backbone interact. energy: -0.407 local terms energy: -26.377401 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -6.447 tors. eta vs tors. theta energy: 0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -60.783519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.783519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.783519 (E_RNA) where: Base-Base interactions energy: -22.792 where: short stacking energy: -22.792 Base-Backbone interact. energy: -0.000 local terms energy: -37.991087 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -9.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -62.317850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.317850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.317850 (E_RNA) where: Base-Base interactions energy: -28.585 where: short stacking energy: -28.585 Base-Backbone interact. energy: -0.000 local terms energy: -33.733251 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -44.207353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.207353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.207353 (E_RNA) where: Base-Base interactions energy: -13.575 where: short stacking energy: -13.009 Base-Backbone interact. energy: -0.025 local terms energy: -30.607013 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -6.605 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: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -43.786579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.786579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.786579 (E_RNA) where: Base-Base interactions energy: -20.530 where: short stacking energy: -18.482 Base-Backbone interact. energy: -0.016 local terms energy: -23.240149 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -7.401 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -1.684 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -41.604710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.604710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.604710 (E_RNA) where: Base-Base interactions energy: -17.702 where: short stacking energy: -7.571 Base-Backbone interact. energy: -0.192 local terms energy: -23.710406 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -0.199 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -40.466997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.466997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.466997 (E_RNA) where: Base-Base interactions energy: -16.278 where: short stacking energy: -16.278 Base-Backbone interact. energy: -0.072 local terms energy: -24.116345 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -72.166026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.166026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.166026 (E_RNA) where: Base-Base interactions energy: -38.443 where: short stacking energy: -24.437 Base-Backbone interact. energy: -0.011 local terms energy: -33.712156 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -6.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -56.882338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.882338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.882338 (E_RNA) where: Base-Base interactions energy: -22.156 where: short stacking energy: -22.156 Base-Backbone interact. energy: -0.030 local terms energy: -34.696259 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -65.728694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.728694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.728694 (E_RNA) where: Base-Base interactions energy: -26.128 where: short stacking energy: -26.128 Base-Backbone interact. energy: -0.003 local terms energy: -39.597143 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -5.913 tors. eta vs tors. theta energy: -8.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -55.075566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.075566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.075566 (E_RNA) where: Base-Base interactions energy: -26.102 where: short stacking energy: -23.430 Base-Backbone interact. energy: -0.071 local terms energy: -28.901687 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -42.729588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.729588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.729588 (E_RNA) where: Base-Base interactions energy: -14.272 where: short stacking energy: -14.572 Base-Backbone interact. energy: 0.119 local terms energy: -28.576876 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -50.633528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.633528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.633528 (E_RNA) where: Base-Base interactions energy: -15.956 where: short stacking energy: -15.956 Base-Backbone interact. energy: -0.056 local terms energy: -34.621260 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -6.675 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: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -50.338239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.338239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.338239 (E_RNA) where: Base-Base interactions energy: -20.964 where: short stacking energy: -14.310 Base-Backbone interact. energy: -0.026 local terms energy: -29.348455 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.172 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: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -45.202044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.202044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.202044 (E_RNA) where: Base-Base interactions energy: -14.451 where: short stacking energy: -14.451 Base-Backbone interact. energy: -0.003 local terms energy: -30.748429 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -49.062833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.062833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.062833 (E_RNA) where: Base-Base interactions energy: -20.278 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.092 local terms energy: -28.691942 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -40.560245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.560245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.560245 (E_RNA) where: Base-Base interactions energy: -10.863 where: short stacking energy: -10.863 Base-Backbone interact. energy: -0.008 local terms energy: -29.689790 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -67.811842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.811842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.811842 (E_RNA) where: Base-Base interactions energy: -33.506 where: short stacking energy: -27.482 Base-Backbone interact. energy: -0.050 local terms energy: -34.255610 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -5.563 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: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -58.300769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.300769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.300769 (E_RNA) where: Base-Base interactions energy: -23.046 where: short stacking energy: -23.046 Base-Backbone interact. energy: -0.000 local terms energy: -35.254033 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -52.108370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.108370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.108370 (E_RNA) where: Base-Base interactions energy: -20.039 where: short stacking energy: -20.039 Base-Backbone interact. energy: -0.068 local terms energy: -32.001562 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -55.488837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.488837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.488837 (E_RNA) where: Base-Base interactions energy: -23.358 where: short stacking energy: -23.358 Base-Backbone interact. energy: -0.011 local terms energy: -32.119125 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -4.108 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: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -64.036080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.036080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.036080 (E_RNA) where: Base-Base interactions energy: -28.389 where: short stacking energy: -28.389 Base-Backbone interact. energy: -0.000 local terms energy: -35.646423 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -7.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -49.456986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.456986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.456986 (E_RNA) where: Base-Base interactions energy: -22.185 where: short stacking energy: -18.964 Base-Backbone interact. energy: -0.004 local terms energy: -27.267741 where: bonds (distance) C4'-P energy: -3.647 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -47.074333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.074333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.074333 (E_RNA) where: Base-Base interactions energy: -18.768 where: short stacking energy: -18.768 Base-Backbone interact. energy: -0.001 local terms energy: -28.306046 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.882 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: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -47.150226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.150226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.150226 (E_RNA) where: Base-Base interactions energy: -16.213 where: short stacking energy: -16.213 Base-Backbone interact. energy: -0.060 local terms energy: -30.877586 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -47.167338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.167338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.167338 (E_RNA) where: Base-Base interactions energy: -16.205 where: short stacking energy: -15.839 Base-Backbone interact. energy: -0.085 local terms energy: -30.876882 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -51.067340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.067340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.067340 (E_RNA) where: Base-Base interactions energy: -20.142 where: short stacking energy: -20.142 Base-Backbone interact. energy: -0.000 local terms energy: -30.925318 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.946 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: 1, replica: 6 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -65.788081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.788081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.788081 (E_RNA) where: Base-Base interactions energy: -26.935 where: short stacking energy: -26.935 Base-Backbone interact. energy: -0.000 local terms energy: -38.853175 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -9.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -63.583181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.583181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.583181 (E_RNA) where: Base-Base interactions energy: -30.436 where: short stacking energy: -30.436 Base-Backbone interact. energy: -0.000 local terms energy: -33.147165 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -8.974 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: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -69.014552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.014552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.014552 (E_RNA) where: Base-Base interactions energy: -30.103 where: short stacking energy: -30.103 Base-Backbone interact. energy: -0.000 local terms energy: -38.911509 where: bonds (distance) C4'-P energy: -5.505 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -11.482 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: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -45.786946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.786946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.786946 (E_RNA) where: Base-Base interactions energy: -16.097 where: short stacking energy: -12.870 Base-Backbone interact. energy: -0.192 local terms energy: -29.497426 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -46.317215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.317215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.317215 (E_RNA) where: Base-Base interactions energy: -19.635 where: short stacking energy: -15.697 Base-Backbone interact. energy: 1.135 local terms energy: -27.817734 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -5.840 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: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -46.993588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.993588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.993588 (E_RNA) where: Base-Base interactions energy: -16.358 where: short stacking energy: -16.358 Base-Backbone interact. energy: -0.002 local terms energy: -30.633547 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -47.955355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.955355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.955355 (E_RNA) where: Base-Base interactions energy: -20.709 where: short stacking energy: -16.926 Base-Backbone interact. energy: -0.092 local terms energy: -27.154790 where: bonds (distance) C4'-P energy: -3.046 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -40.994507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.994507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.994507 (E_RNA) where: Base-Base interactions energy: -14.047 where: short stacking energy: -14.047 Base-Backbone interact. energy: -0.002 local terms energy: -26.945680 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -39.038113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.038113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.038113 (E_RNA) where: Base-Base interactions energy: -18.161 where: short stacking energy: -17.688 Base-Backbone interact. energy: -0.107 local terms energy: -20.769798 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -42.334739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.334739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.334739 (E_RNA) where: Base-Base interactions energy: -16.094 where: short stacking energy: -15.544 Base-Backbone interact. energy: -0.000 local terms energy: -26.240549 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -64.160338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.160338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.160338 (E_RNA) where: Base-Base interactions energy: -34.172 where: short stacking energy: -26.895 Base-Backbone interact. energy: -0.000 local terms energy: -29.988471 where: bonds (distance) C4'-P energy: -4.528 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -6.215 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: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -72.796460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.796460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.796460 (E_RNA) where: Base-Base interactions energy: -33.567 where: short stacking energy: -32.243 Base-Backbone interact. energy: -0.000 local terms energy: -39.229041 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -8.077 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: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -72.970177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.970177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.970177 (E_RNA) where: Base-Base interactions energy: -40.564 where: short stacking energy: -29.124 Base-Backbone interact. energy: 0.797 local terms energy: -33.202501 where: bonds (distance) C4'-P energy: -7.745 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -7.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -53.176685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.176685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.176685 (E_RNA) where: Base-Base interactions energy: -21.985 where: short stacking energy: -21.985 Base-Backbone interact. energy: -0.001 local terms energy: -31.191470 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -48.425683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.425683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.425683 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.030 local terms energy: -30.376063 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.113 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -47.064170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.064170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.064170 (E_RNA) where: Base-Base interactions energy: -16.491 where: short stacking energy: -14.714 Base-Backbone interact. energy: -0.139 local terms energy: -30.434798 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -4.529 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: 7, replica: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -49.510788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.510788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.510788 (E_RNA) where: Base-Base interactions energy: -19.324 where: short stacking energy: -19.324 Base-Backbone interact. energy: -0.001 local terms energy: -30.185230 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -6.814 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: 51 Temperature: 1.250000 Total energy: -45.722138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.722138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.722138 (E_RNA) where: Base-Base interactions energy: -17.132 where: short stacking energy: -17.132 Base-Backbone interact. energy: -0.145 local terms energy: -28.445098 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -47.619893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.619893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.619893 (E_RNA) where: Base-Base interactions energy: -18.910 where: short stacking energy: -11.880 Base-Backbone interact. energy: -0.094 local terms energy: -28.616585 where: bonds (distance) C4'-P energy: -4.774 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -4.666 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: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -50.234193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.234193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.234193 (E_RNA) where: Base-Base interactions energy: -22.612 where: short stacking energy: -22.612 Base-Backbone interact. energy: -0.013 local terms energy: -27.609758 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -1.674 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -72.448936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.448936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.448936 (E_RNA) where: Base-Base interactions energy: -34.501 where: short stacking energy: -34.501 Base-Backbone interact. energy: -0.000 local terms energy: -37.947644 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -61.700634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.700634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.700634 (E_RNA) where: Base-Base interactions energy: -30.358 where: short stacking energy: -26.306 Base-Backbone interact. energy: -0.000 local terms energy: -31.342416 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -6.753 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: 3, replica: 10 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -71.013400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.013400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.013400 (E_RNA) where: Base-Base interactions energy: -36.265 where: short stacking energy: -25.423 Base-Backbone interact. energy: -0.099 local terms energy: -34.649043 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -9.210 flat angles P-C4'-P energy: -3.848 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: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -61.362419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.362419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.362419 (E_RNA) where: Base-Base interactions energy: -29.470 where: short stacking energy: -29.470 Base-Backbone interact. energy: -0.000 local terms energy: -31.892787 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -7.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -50.096155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.096155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.096155 (E_RNA) where: Base-Base interactions energy: -17.598 where: short stacking energy: -17.914 Base-Backbone interact. energy: -0.004 local terms energy: -32.494081 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.357 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -50.161181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.161181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.161181 (E_RNA) where: Base-Base interactions energy: -18.751 where: short stacking energy: -14.824 Base-Backbone interact. energy: -0.001 local terms energy: -31.409652 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -7.009 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: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -55.138557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.138557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.138557 (E_RNA) where: Base-Base interactions energy: -28.597 where: short stacking energy: -21.599 Base-Backbone interact. energy: -0.048 local terms energy: -26.493917 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -45.303125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.303125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.303125 (E_RNA) where: Base-Base interactions energy: -14.829 where: short stacking energy: -14.495 Base-Backbone interact. energy: -0.147 local terms energy: -30.327634 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -4.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -44.095538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.095538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.095538 (E_RNA) where: Base-Base interactions energy: -19.671 where: short stacking energy: -19.671 Base-Backbone interact. energy: -0.080 local terms energy: -24.344401 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -2.376 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -39.047044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.047044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.047044 (E_RNA) where: Base-Base interactions energy: -15.296 where: short stacking energy: -12.583 Base-Backbone interact. energy: -0.074 local terms energy: -23.676740 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -64.433746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.433746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.433746 (E_RNA) where: Base-Base interactions energy: -26.326 where: short stacking energy: -25.176 Base-Backbone interact. energy: -0.000 local terms energy: -38.108004 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -8.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -69.346894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.346894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.346894 (E_RNA) where: Base-Base interactions energy: -28.404 where: short stacking energy: -28.404 Base-Backbone interact. energy: -0.000 local terms energy: -40.942402 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -10.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -58.518319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.518319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.518319 (E_RNA) where: Base-Base interactions energy: -22.518 where: short stacking energy: -22.518 Base-Backbone interact. energy: -0.000 local terms energy: -36.000217 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -5.151 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: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -52.452046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.452046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.452046 (E_RNA) where: Base-Base interactions energy: -25.508 where: short stacking energy: -23.700 Base-Backbone interact. energy: -0.003 local terms energy: -26.940507 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -54.430203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.430203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.430203 (E_RNA) where: Base-Base interactions energy: -21.852 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.016 local terms energy: -32.561587 where: bonds (distance) C4'-P energy: -2.964 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -9.026 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -6.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -53.529976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.529976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.529976 (E_RNA) where: Base-Base interactions energy: -22.658 where: short stacking energy: -22.510 Base-Backbone interact. energy: -0.001 local terms energy: -30.871057 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -4.601 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: 7, replica: 2 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -44.545693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.545693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.545693 (E_RNA) where: Base-Base interactions energy: -14.592 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.003 local terms energy: -29.950825 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -4.790 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: 8, replica: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -46.610508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.610508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.610508 (E_RNA) where: Base-Base interactions energy: -22.783 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.085 local terms energy: -23.742451 where: bonds (distance) C4'-P energy: -6.242 bonds (distance) P-C4' energy: -6.941 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: 1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -44.521991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.521991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.521991 (E_RNA) where: Base-Base interactions energy: -14.162 where: short stacking energy: -11.500 Base-Backbone interact. energy: -0.001 local terms energy: -30.358265 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: 0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -39.298732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.298732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.298732 (E_RNA) where: Base-Base interactions energy: -19.879 where: short stacking energy: -11.596 Base-Backbone interact. energy: 1.509 local terms energy: -20.928881 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -2.294 tors. eta vs tors. theta energy: -0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -69.464212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.464212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.464212 (E_RNA) where: Base-Base interactions energy: -32.314 where: short stacking energy: -32.314 Base-Backbone interact. energy: -0.008 local terms energy: -37.142039 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -5.223 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: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -51.726715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.726715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.726715 (E_RNA) where: Base-Base interactions energy: -21.933 where: short stacking energy: -21.933 Base-Backbone interact. energy: -0.142 local terms energy: -29.651673 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -50.109704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.109704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.109704 (E_RNA) where: Base-Base interactions energy: -17.327 where: short stacking energy: -17.327 Base-Backbone interact. energy: -0.013 local terms energy: -32.769926 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -5.123 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: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -52.879292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.879292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.879292 (E_RNA) where: Base-Base interactions energy: -27.088 where: short stacking energy: -21.798 Base-Backbone interact. energy: -0.010 local terms energy: -25.780996 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.054 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: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -55.390991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.390991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.390991 (E_RNA) where: Base-Base interactions energy: -28.852 where: short stacking energy: -16.864 Base-Backbone interact. energy: -0.131 local terms energy: -26.407635 where: bonds (distance) C4'-P energy: -5.647 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -2.881 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: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -48.925472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.925472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.925472 (E_RNA) where: Base-Base interactions energy: -19.539 where: short stacking energy: -18.545 Base-Backbone interact. energy: -0.097 local terms energy: -29.289839 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -44.753725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.753725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.753725 (E_RNA) where: Base-Base interactions energy: -19.191 where: short stacking energy: -17.541 Base-Backbone interact. energy: -0.101 local terms energy: -25.461142 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -51.540648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.540648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.540648 (E_RNA) where: Base-Base interactions energy: -15.851 where: short stacking energy: -15.851 Base-Backbone interact. energy: -0.040 local terms energy: -35.649335 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -9.620 flat angles P-C4'-P energy: -6.113 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: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -44.203178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.203178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.203178 (E_RNA) where: Base-Base interactions energy: -19.426 where: short stacking energy: -16.395 Base-Backbone interact. energy: 1.119 local terms energy: -25.896300 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -5.919 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: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -40.754186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.754186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.754186 (E_RNA) where: Base-Base interactions energy: -17.143 where: short stacking energy: -12.342 Base-Backbone interact. energy: -0.110 local terms energy: -23.501485 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -4.173 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: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -62.927454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.927454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.927454 (E_RNA) where: Base-Base interactions energy: -29.104 where: short stacking energy: -14.891 Base-Backbone interact. energy: -0.079 local terms energy: -33.744323 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -6.832 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: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -61.833922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.833922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.833922 (E_RNA) where: Base-Base interactions energy: -26.528 where: short stacking energy: -22.107 Base-Backbone interact. energy: 0.498 local terms energy: -35.803310 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -7.008 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: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -60.999738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.999738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.999738 (E_RNA) where: Base-Base interactions energy: -24.684 where: short stacking energy: -21.527 Base-Backbone interact. energy: -0.085 local terms energy: -36.230692 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -9.077 flat angles P-C4'-P energy: -6.598 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: 4, replica: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -55.236599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.236599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.236599 (E_RNA) where: Base-Base interactions energy: -25.449 where: short stacking energy: -23.777 Base-Backbone interact. energy: -0.002 local terms energy: -29.785354 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -5.802 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: 9 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -55.709944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.709944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.709944 (E_RNA) where: Base-Base interactions energy: -22.173 where: short stacking energy: -22.173 Base-Backbone interact. energy: -0.000 local terms energy: -33.536716 where: bonds (distance) C4'-P energy: -5.146 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -8.348 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -6.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -56.431184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.431184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.431184 (E_RNA) where: Base-Base interactions energy: -31.718 where: short stacking energy: -17.095 Base-Backbone interact. energy: -0.356 local terms energy: -24.357740 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: 1.698 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -44.592609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.592609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.592609 (E_RNA) where: Base-Base interactions energy: -11.755 where: short stacking energy: -11.755 Base-Backbone interact. energy: -0.091 local terms energy: -32.745982 where: bonds (distance) C4'-P energy: -6.981 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -6.254 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: 8, replica: 3 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -47.118505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.118505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.118505 (E_RNA) where: Base-Base interactions energy: -19.293 where: short stacking energy: -19.293 Base-Backbone interact. energy: -0.001 local terms energy: -27.824849 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -7.775 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -1.993 tors. eta vs tors. theta energy: -5.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -45.054478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.054478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.054478 (E_RNA) where: Base-Base interactions energy: -16.220 where: short stacking energy: -16.220 Base-Backbone interact. energy: -0.099 local terms energy: -28.735932 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -3.432 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: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -40.857444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.857444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.857444 (E_RNA) where: Base-Base interactions energy: -14.007 where: short stacking energy: -14.007 Base-Backbone interact. energy: -0.003 local terms energy: -26.846685 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -5.874 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -69.672880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.672880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.672880 (E_RNA) where: Base-Base interactions energy: -30.009 where: short stacking energy: -30.009 Base-Backbone interact. energy: -0.001 local terms energy: -39.663126 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -8.912 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: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -63.569481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.569481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.569481 (E_RNA) where: Base-Base interactions energy: -25.634 where: short stacking energy: -25.634 Base-Backbone interact. energy: -0.027 local terms energy: -37.908645 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -6.366 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -59.613892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.613892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.613892 (E_RNA) where: Base-Base interactions energy: -25.266 where: short stacking energy: -25.266 Base-Backbone interact. energy: -0.004 local terms energy: -34.343971 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -50.321973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.321973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.321973 (E_RNA) where: Base-Base interactions energy: -20.551 where: short stacking energy: -20.551 Base-Backbone interact. energy: -0.088 local terms energy: -29.683258 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -61.755624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.755624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.755624 (E_RNA) where: Base-Base interactions energy: -34.940 where: short stacking energy: -21.871 Base-Backbone interact. energy: -0.000 local terms energy: -26.815794 where: bonds (distance) C4'-P energy: -4.045 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -58.884208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.884208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.884208 (E_RNA) where: Base-Base interactions energy: -30.995 where: short stacking energy: -16.458 Base-Backbone interact. energy: -0.027 local terms energy: -27.862366 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -1.797 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: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -47.138547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.138547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.138547 (E_RNA) where: Base-Base interactions energy: -15.477 where: short stacking energy: -15.477 Base-Backbone interact. energy: -0.037 local terms energy: -31.624765 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -6.773 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: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -41.416805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.416805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.416805 (E_RNA) where: Base-Base interactions energy: -16.382 where: short stacking energy: -13.383 Base-Backbone interact. energy: -0.261 local terms energy: -24.773880 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -0.836 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -40.862895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.862895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.862895 (E_RNA) where: Base-Base interactions energy: -17.354 where: short stacking energy: -17.354 Base-Backbone interact. energy: -0.129 local terms energy: -23.379817 where: bonds (distance) C4'-P energy: -4.119 bonds (distance) P-C4' energy: -3.861 flat angles C4'-P-C4' energy: -7.717 flat angles P-C4'-P energy: -3.109 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: 10, replica: 2 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -38.940650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.940650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.940650 (E_RNA) where: Base-Base interactions energy: -12.454 where: short stacking energy: -8.447 Base-Backbone interact. energy: -0.010 local terms energy: -26.476849 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: 0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -69.329211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.329211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.329211 (E_RNA) where: Base-Base interactions energy: -34.234 where: short stacking energy: -24.894 Base-Backbone interact. energy: -0.003 local terms energy: -35.091866 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -5.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -62.926441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.926441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.926441 (E_RNA) where: Base-Base interactions energy: -29.043 where: short stacking energy: -27.193 Base-Backbone interact. energy: -0.001 local terms energy: -33.882210 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -59.402916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.402916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.402916 (E_RNA) where: Base-Base interactions energy: -21.071 where: short stacking energy: -21.071 Base-Backbone interact. energy: -0.000 local terms energy: -38.331987 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -8.121 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: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -52.313732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.313732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.313732 (E_RNA) where: Base-Base interactions energy: -23.675 where: short stacking energy: -20.656 Base-Backbone interact. energy: -0.002 local terms energy: -28.636000 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -2.552 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -52.477680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.477680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.477680 (E_RNA) where: Base-Base interactions energy: -21.224 where: short stacking energy: -21.224 Base-Backbone interact. energy: -0.250 local terms energy: -31.003176 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -3.774 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: 9 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -43.509682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.509682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.509682 (E_RNA) where: Base-Base interactions energy: -17.247 where: short stacking energy: -17.247 Base-Backbone interact. energy: -0.331 local terms energy: -25.931918 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -2.352 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: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -44.615584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.615584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.615584 (E_RNA) where: Base-Base interactions energy: -14.514 where: short stacking energy: -14.514 Base-Backbone interact. energy: -0.001 local terms energy: -30.100488 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -0.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -42.988818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.988818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.988818 (E_RNA) where: Base-Base interactions energy: -17.850 where: short stacking energy: -17.850 Base-Backbone interact. energy: -0.000 local terms energy: -25.138415 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -42.101183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.101183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.101183 (E_RNA) where: Base-Base interactions energy: -13.337 where: short stacking energy: -13.337 Base-Backbone interact. energy: -0.000 local terms energy: -28.764105 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -3.414 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: 10, replica: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -37.610507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.610507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.610507 (E_RNA) where: Base-Base interactions energy: -10.468 where: short stacking energy: -5.460 Base-Backbone interact. energy: -0.010 local terms energy: -27.132967 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -77.231404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.231404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.231404 (E_RNA) where: Base-Base interactions energy: -43.195 where: short stacking energy: -25.838 Base-Backbone interact. energy: -0.011 local terms energy: -34.025094 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -5.103 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: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -62.642167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.642167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.642167 (E_RNA) where: Base-Base interactions energy: -28.095 where: short stacking energy: -28.095 Base-Backbone interact. energy: -0.000 local terms energy: -34.546930 where: bonds (distance) C4'-P energy: -7.248 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -5.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -49.448339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.448339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.448339 (E_RNA) where: Base-Base interactions energy: -19.577 where: short stacking energy: -19.577 Base-Backbone interact. energy: -0.174 local terms energy: -29.697786 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -4.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -56.035828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.035828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.035828 (E_RNA) where: Base-Base interactions energy: -25.240 where: short stacking energy: -25.240 Base-Backbone interact. energy: -0.006 local terms energy: -30.789878 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -61.683038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.683038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.683038 (E_RNA) where: Base-Base interactions energy: -26.201 where: short stacking energy: -26.201 Base-Backbone interact. energy: -0.000 local terms energy: -35.482165 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -9.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -50.586254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.586254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.586254 (E_RNA) where: Base-Base interactions energy: -21.141 where: short stacking energy: -21.141 Base-Backbone interact. energy: -0.000 local terms energy: -29.444771 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -56.768442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.768442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.768442 (E_RNA) where: Base-Base interactions energy: -24.501 where: short stacking energy: -24.501 Base-Backbone interact. energy: -0.003 local terms energy: -32.264696 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -41.107916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.107916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.107916 (E_RNA) where: Base-Base interactions energy: -9.895 where: short stacking energy: -9.895 Base-Backbone interact. energy: -0.041 local terms energy: -31.171474 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -45.753854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.753854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.753854 (E_RNA) where: Base-Base interactions energy: -25.412 where: short stacking energy: -14.121 Base-Backbone interact. energy: -1.114 local terms energy: -19.227866 where: bonds (distance) C4'-P energy: -0.869 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -40.981586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.981586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.981586 (E_RNA) where: Base-Base interactions energy: -14.418 where: short stacking energy: -14.418 Base-Backbone interact. energy: -0.002 local terms energy: -26.561228 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -3.364 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: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -78.748994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.748994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.748994 (E_RNA) where: Base-Base interactions energy: -42.476 where: short stacking energy: -19.086 Base-Backbone interact. energy: -0.867 local terms energy: -35.406662 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -6.647 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: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -55.151313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.151313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.151313 (E_RNA) where: Base-Base interactions energy: -25.194 where: short stacking energy: -23.248 Base-Backbone interact. energy: -1.522 local terms energy: -28.435433 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -4.008 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -5.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -62.161389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.161389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.161389 (E_RNA) where: Base-Base interactions energy: -25.948 where: short stacking energy: -25.948 Base-Backbone interact. energy: -0.001 local terms energy: -36.212550 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -6.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -58.072171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.072171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.072171 (E_RNA) where: Base-Base interactions energy: -25.791 where: short stacking energy: -22.260 Base-Backbone interact. energy: -0.770 local terms energy: -31.511086 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -3.119 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: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -59.591488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.591488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.591488 (E_RNA) where: Base-Base interactions energy: -29.360 where: short stacking energy: -17.992 Base-Backbone interact. energy: -0.087 local terms energy: -30.145418 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -3.463 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -57.471702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.471702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.471702 (E_RNA) where: Base-Base interactions energy: -23.027 where: short stacking energy: -23.027 Base-Backbone interact. energy: 0.886 local terms energy: -35.330572 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -6.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -48.347933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.347933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.347933 (E_RNA) where: Base-Base interactions energy: -25.142 where: short stacking energy: -19.626 Base-Backbone interact. energy: 0.122 local terms energy: -23.328140 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -2.309 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -2.219 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: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -40.888061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.888061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.888061 (E_RNA) where: Base-Base interactions energy: -13.425 where: short stacking energy: -13.425 Base-Backbone interact. energy: -0.010 local terms energy: -27.453056 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -5.411 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -53.446305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.446305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.446305 (E_RNA) where: Base-Base interactions energy: -19.812 where: short stacking energy: -11.438 Base-Backbone interact. energy: -0.004 local terms energy: -33.630863 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -46.738286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.738286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.738286 (E_RNA) where: Base-Base interactions energy: -16.643 where: short stacking energy: -15.914 Base-Backbone interact. energy: -0.021 local terms energy: -30.073507 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -76.053368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.053368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.053368 (E_RNA) where: Base-Base interactions energy: -39.869 where: short stacking energy: -26.008 Base-Backbone interact. energy: -0.024 local terms energy: -36.159849 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -69.763077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.763077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.763077 (E_RNA) where: Base-Base interactions energy: -33.898 where: short stacking energy: -26.699 Base-Backbone interact. energy: -0.000 local terms energy: -35.864641 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -5.948 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: 9 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -56.750119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.750119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.750119 (E_RNA) where: Base-Base interactions energy: -28.115 where: short stacking energy: -27.696 Base-Backbone interact. energy: -0.095 local terms energy: -28.540161 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -4.663 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -47.836769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.836769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.836769 (E_RNA) where: Base-Base interactions energy: -20.268 where: short stacking energy: -16.295 Base-Backbone interact. energy: -0.000 local terms energy: -27.568042 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -4.704 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: 5, replica: 7 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -67.114085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.114085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.114085 (E_RNA) where: Base-Base interactions energy: -38.009 where: short stacking energy: -28.404 Base-Backbone interact. energy: -0.046 local terms energy: -29.059253 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -50.867211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.867211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.867211 (E_RNA) where: Base-Base interactions energy: -20.309 where: short stacking energy: -14.752 Base-Backbone interact. energy: -0.011 local terms energy: -30.547513 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -5.380 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -5.142 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: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -45.160655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.160655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.160655 (E_RNA) where: Base-Base interactions energy: -16.861 where: short stacking energy: -17.061 Base-Backbone interact. energy: -0.029 local terms energy: -28.270199 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -59.924765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.924765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.924765 (E_RNA) where: Base-Base interactions energy: -30.314 where: short stacking energy: -22.024 Base-Backbone interact. energy: 0.188 local terms energy: -29.799054 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -40.678358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.678358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.678358 (E_RNA) where: Base-Base interactions energy: -13.977 where: short stacking energy: -10.523 Base-Backbone interact. energy: -0.001 local terms energy: -26.700102 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -3.873 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: 3 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -46.078281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.078281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.078281 (E_RNA) where: Base-Base interactions energy: -15.726 where: short stacking energy: -15.726 Base-Backbone interact. energy: -0.046 local terms energy: -30.306309 where: bonds (distance) C4'-P energy: -4.926 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -5.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -75.361641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.361641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.361641 (E_RNA) where: Base-Base interactions energy: -44.676 where: short stacking energy: -17.884 Base-Backbone interact. energy: -0.438 local terms energy: -30.247492 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.690 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: 2, replica: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -68.793738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.793738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.793738 (E_RNA) where: Base-Base interactions energy: -30.330 where: short stacking energy: -30.330 Base-Backbone interact. energy: -0.000 local terms energy: -38.463752 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -8.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -64.427447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.427447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.427447 (E_RNA) where: Base-Base interactions energy: -30.166 where: short stacking energy: -30.166 Base-Backbone interact. energy: -0.003 local terms energy: -34.258623 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -4.130 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -9.426 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: 4, replica: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -57.399720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.399720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.399720 (E_RNA) where: Base-Base interactions energy: -25.150 where: short stacking energy: -25.150 Base-Backbone interact. energy: -0.001 local terms energy: -32.248921 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -61.047863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.047863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.047863 (E_RNA) where: Base-Base interactions energy: -27.714 where: short stacking energy: -18.564 Base-Backbone interact. energy: -0.000 local terms energy: -33.333880 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -5.683 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: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -46.575692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.575692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.575692 (E_RNA) where: Base-Base interactions energy: -23.773 where: short stacking energy: -23.773 Base-Backbone interact. energy: -0.012 local terms energy: -22.791023 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -2.800 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -59.325002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.325002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.325002 (E_RNA) where: Base-Base interactions energy: -21.915 where: short stacking energy: -18.426 Base-Backbone interact. energy: -0.012 local terms energy: -37.398340 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -6.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -50.297285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.297285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.297285 (E_RNA) where: Base-Base interactions energy: -15.823 where: short stacking energy: -15.823 Base-Backbone interact. energy: -0.250 local terms energy: -34.224616 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -5.619 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: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -47.857239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.857239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.857239 (E_RNA) where: Base-Base interactions energy: -17.857 where: short stacking energy: -17.857 Base-Backbone interact. energy: -0.099 local terms energy: -29.900988 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -1.984 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: 10, replica: 3 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -45.839964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.839964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.839964 (E_RNA) where: Base-Base interactions energy: -19.017 where: short stacking energy: -19.017 Base-Backbone interact. energy: -0.003 local terms energy: -26.819888 where: bonds (distance) C4'-P energy: -4.478 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -72.274140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.274140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.274140 (E_RNA) where: Base-Base interactions energy: -39.643 where: short stacking energy: -24.784 Base-Backbone interact. energy: -0.002 local terms energy: -32.629207 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -3.857 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: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -69.547761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.547761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.547761 (E_RNA) where: Base-Base interactions energy: -38.266 where: short stacking energy: -28.117 Base-Backbone interact. energy: -0.006 local terms energy: -31.276077 where: bonds (distance) C4'-P energy: -4.861 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -67.218748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.218748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.218748 (E_RNA) where: Base-Base interactions energy: -32.925 where: short stacking energy: -16.757 Base-Backbone interact. energy: -0.125 local terms energy: -34.168138 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -6.962 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: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -45.505594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.505594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.505594 (E_RNA) where: Base-Base interactions energy: -19.150 where: short stacking energy: -19.150 Base-Backbone interact. energy: -0.087 local terms energy: -26.268664 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -55.709247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.709247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.709247 (E_RNA) where: Base-Base interactions energy: -25.272 where: short stacking energy: -23.088 Base-Backbone interact. energy: -0.000 local terms energy: -30.437237 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -3.520 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: 6, replica: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -53.096926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.096926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.096926 (E_RNA) where: Base-Base interactions energy: -23.570 where: short stacking energy: -23.570 Base-Backbone interact. energy: -0.038 local terms energy: -29.488719 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -5.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -49.868239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.868239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.868239 (E_RNA) where: Base-Base interactions energy: -22.692 where: short stacking energy: -20.843 Base-Backbone interact. energy: -0.022 local terms energy: -27.155099 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -47.283097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.283097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.283097 (E_RNA) where: Base-Base interactions energy: -18.078 where: short stacking energy: -18.078 Base-Backbone interact. energy: -0.000 local terms energy: -29.205389 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -1.109 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: 9, replica: 3 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -40.242119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.242119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.242119 (E_RNA) where: Base-Base interactions energy: -12.591 where: short stacking energy: -11.513 Base-Backbone interact. energy: -0.107 local terms energy: -27.544138 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -6.762 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: 62 Temperature: 1.350000 Total energy: -41.655273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.655273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.655273 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.096 local terms energy: -28.213559 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -75.448844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.448844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.448844 (E_RNA) where: Base-Base interactions energy: -39.843 where: short stacking energy: -23.167 Base-Backbone interact. energy: -0.000 local terms energy: -35.605284 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.180 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -7.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -65.956763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.956763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.956763 (E_RNA) where: Base-Base interactions energy: -30.256 where: short stacking energy: -30.256 Base-Backbone interact. energy: -0.000 local terms energy: -35.700490 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -8.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -78.628226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.628226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.628226 (E_RNA) where: Base-Base interactions energy: -44.675 where: short stacking energy: -23.965 Base-Backbone interact. energy: -0.032 local terms energy: -33.921601 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -56.990822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.990822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.990822 (E_RNA) where: Base-Base interactions energy: -23.787 where: short stacking energy: -23.787 Base-Backbone interact. energy: -0.000 local terms energy: -33.203905 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -6.498 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: 9 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -54.328813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.328813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.328813 (E_RNA) where: Base-Base interactions energy: -27.679 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.012 local terms energy: -26.637614 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -0.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -60.832105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.832105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.832105 (E_RNA) where: Base-Base interactions energy: -23.745 where: short stacking energy: -22.878 Base-Backbone interact. energy: -0.023 local terms energy: -37.063587 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -6.311 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: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -47.238742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.238742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.238742 (E_RNA) where: Base-Base interactions energy: -16.967 where: short stacking energy: -16.967 Base-Backbone interact. energy: -0.002 local terms energy: -30.270064 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -6.929 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: 8, replica: 3 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -42.216165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.216165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.216165 (E_RNA) where: Base-Base interactions energy: -12.936 where: short stacking energy: -12.936 Base-Backbone interact. energy: -0.056 local terms energy: -29.224023 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -2.594 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: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -41.889934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.889934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.889934 (E_RNA) where: Base-Base interactions energy: -15.977 where: short stacking energy: -12.862 Base-Backbone interact. energy: -0.248 local terms energy: -25.664722 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -56.397416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.397416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.397416 (E_RNA) where: Base-Base interactions energy: -23.957 where: short stacking energy: -23.957 Base-Backbone interact. energy: -0.001 local terms energy: -32.438585 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -7.592 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: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -78.592711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.592711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.592711 (E_RNA) where: Base-Base interactions energy: -43.178 where: short stacking energy: -28.731 Base-Backbone interact. energy: -0.000 local terms energy: -35.414666 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -55.937259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.937259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.937259 (E_RNA) where: Base-Base interactions energy: -23.082 where: short stacking energy: -23.082 Base-Backbone interact. energy: -0.004 local terms energy: -32.851722 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -80.261956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.261956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.261956 (E_RNA) where: Base-Base interactions energy: -49.323 where: short stacking energy: -24.803 Base-Backbone interact. energy: -0.000 local terms energy: -30.938639 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -53.796851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.796851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.796851 (E_RNA) where: Base-Base interactions energy: -21.385 where: short stacking energy: -21.385 Base-Backbone interact. energy: -0.004 local terms energy: -32.407839 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -7.041 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: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -57.584659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.584659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.584659 (E_RNA) where: Base-Base interactions energy: -25.004 where: short stacking energy: -25.004 Base-Backbone interact. energy: -0.000 local terms energy: -32.580320 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -6.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -51.582762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.582762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.582762 (E_RNA) where: Base-Base interactions energy: -17.628 where: short stacking energy: -17.628 Base-Backbone interact. energy: -0.000 local terms energy: -33.954731 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -5.034 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: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -47.768106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.768106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.768106 (E_RNA) where: Base-Base interactions energy: -14.463 where: short stacking energy: -14.463 Base-Backbone interact. energy: -0.004 local terms energy: -33.301064 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -5.457 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: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -47.900204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.900204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.900204 (E_RNA) where: Base-Base interactions energy: -21.065 where: short stacking energy: -21.065 Base-Backbone interact. energy: -0.003 local terms energy: -26.831662 where: bonds (distance) C4'-P energy: -2.889 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -46.025462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.025462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.025462 (E_RNA) where: Base-Base interactions energy: -18.222 where: short stacking energy: -17.311 Base-Backbone interact. energy: -0.005 local terms energy: -27.797694 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -1.326 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: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -39.170442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.170442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.170442 (E_RNA) where: Base-Base interactions energy: -18.372 where: short stacking energy: -14.959 Base-Backbone interact. energy: -0.001 local terms energy: -20.797755 where: bonds (distance) C4'-P energy: -0.989 bonds (distance) P-C4' energy: -4.451 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -5.178 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: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -77.685148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.685148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.685148 (E_RNA) where: Base-Base interactions energy: -45.884 where: short stacking energy: -24.742 Base-Backbone interact. energy: -0.110 local terms energy: -31.691911 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -77.806168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.806168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.806168 (E_RNA) where: Base-Base interactions energy: -44.550 where: short stacking energy: -21.983 Base-Backbone interact. energy: -0.002 local terms energy: -33.253369 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -7.778 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -6.192 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: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -59.004228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.004228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.004228 (E_RNA) where: Base-Base interactions energy: -26.440 where: short stacking energy: -23.156 Base-Backbone interact. energy: -0.008 local terms energy: -32.556307 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -54.065702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.065702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.065702 (E_RNA) where: Base-Base interactions energy: -21.276 where: short stacking energy: -21.276 Base-Backbone interact. energy: -0.012 local terms energy: -32.777119 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -6.637 tors. eta vs tors. theta energy: -6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -58.072092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.072092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.072092 (E_RNA) where: Base-Base interactions energy: -23.668 where: short stacking energy: -23.668 Base-Backbone interact. energy: -0.008 local terms energy: -34.396026 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -6.956 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -5.869 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: 6, replica: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -50.794300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.794300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.794300 (E_RNA) where: Base-Base interactions energy: -18.179 where: short stacking energy: -18.179 Base-Backbone interact. energy: -0.091 local terms energy: -32.525065 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -7.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -51.103013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.103013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.103013 (E_RNA) where: Base-Base interactions energy: -19.579 where: short stacking energy: -17.844 Base-Backbone interact. energy: -0.013 local terms energy: -31.510578 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -0.694 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: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -42.991517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.991517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.991517 (E_RNA) where: Base-Base interactions energy: -16.618 where: short stacking energy: -14.497 Base-Backbone interact. energy: 0.864 local terms energy: -27.237844 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -6.101 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -1.046 tors. eta vs tors. theta energy: -7.179 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: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -41.998244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.998244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.998244 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.184 local terms energy: -28.688069 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -4.559 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: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -39.048638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.048638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.048638 (E_RNA) where: Base-Base interactions energy: -11.152 where: short stacking energy: -11.152 Base-Backbone interact. energy: -0.001 local terms energy: -27.894820 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -5.876 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -71.243310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.243310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.243310 (E_RNA) where: Base-Base interactions energy: -40.403 where: short stacking energy: -21.121 Base-Backbone interact. energy: -0.486 local terms energy: -30.354691 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -2.950 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: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -72.722515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.722515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.722515 (E_RNA) where: Base-Base interactions energy: -41.384 where: short stacking energy: -21.718 Base-Backbone interact. energy: -0.000 local terms energy: -31.337832 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -6.054 tors. eta vs tors. theta energy: -5.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -56.840018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.840018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.840018 (E_RNA) where: Base-Base interactions energy: -20.014 where: short stacking energy: -20.014 Base-Backbone interact. energy: -0.002 local terms energy: -36.823952 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -6.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -63.234328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.234328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.234328 (E_RNA) where: Base-Base interactions energy: -28.677 where: short stacking energy: -21.353 Base-Backbone interact. energy: -0.001 local terms energy: -34.556207 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -3.277 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: 5, replica: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -50.307660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.307660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.307660 (E_RNA) where: Base-Base interactions energy: -20.423 where: short stacking energy: -15.521 Base-Backbone interact. energy: -0.028 local terms energy: -29.857635 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -4.165 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: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -52.389302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.389302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.389302 (E_RNA) where: Base-Base interactions energy: -22.505 where: short stacking energy: -19.660 Base-Backbone interact. energy: -0.070 local terms energy: -29.814271 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -3.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -55.637753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.637753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.637753 (E_RNA) where: Base-Base interactions energy: -22.535 where: short stacking energy: -22.535 Base-Backbone interact. energy: -0.000 local terms energy: -33.102657 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -46.514351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.514351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.514351 (E_RNA) where: Base-Base interactions energy: -18.612 where: short stacking energy: -15.074 Base-Backbone interact. energy: -0.023 local terms energy: -27.879736 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -4.291 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: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -46.333553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.333553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.333553 (E_RNA) where: Base-Base interactions energy: -18.099 where: short stacking energy: -17.812 Base-Backbone interact. energy: -0.000 local terms energy: -28.234366 where: bonds (distance) C4'-P energy: -4.650 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -40.687761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.687761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.687761 (E_RNA) where: Base-Base interactions energy: -13.973 where: short stacking energy: -12.817 Base-Backbone interact. energy: -0.001 local terms energy: -26.714339 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -70.924027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.924027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.924027 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -28.525 Base-Backbone interact. energy: -0.004 local terms energy: -37.751668 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -9.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -74.262695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.262695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.262695 (E_RNA) where: Base-Base interactions energy: -41.194 where: short stacking energy: -26.347 Base-Backbone interact. energy: -0.002 local terms energy: -33.067271 where: bonds (distance) C4'-P energy: -8.482 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -49.813286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.813286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.813286 (E_RNA) where: Base-Base interactions energy: -19.625 where: short stacking energy: -16.725 Base-Backbone interact. energy: -0.053 local terms energy: -30.135424 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -52.186242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.186242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.186242 (E_RNA) where: Base-Base interactions energy: -25.557 where: short stacking energy: -13.441 Base-Backbone interact. energy: -0.005 local terms energy: -26.624058 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -6.543 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: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -47.891366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.891366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.891366 (E_RNA) where: Base-Base interactions energy: -20.932 where: short stacking energy: -20.932 Base-Backbone interact. energy: -0.029 local terms energy: -26.930337 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -4.208 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: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -52.225541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.225541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.225541 (E_RNA) where: Base-Base interactions energy: -20.868 where: short stacking energy: -20.868 Base-Backbone interact. energy: -0.000 local terms energy: -31.357417 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -3.463 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: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -49.466613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.466613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.466613 (E_RNA) where: Base-Base interactions energy: -14.824 where: short stacking energy: -14.676 Base-Backbone interact. energy: -0.098 local terms energy: -34.543700 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -3.425 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: 8, replica: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -48.746581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.746581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.746581 (E_RNA) where: Base-Base interactions energy: -20.136 where: short stacking energy: -19.147 Base-Backbone interact. energy: -0.002 local terms energy: -28.609341 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -50.874541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.874541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.874541 (E_RNA) where: Base-Base interactions energy: -22.896 where: short stacking energy: -18.054 Base-Backbone interact. energy: -0.010 local terms energy: -27.968962 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -45.210363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.210363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.210363 (E_RNA) where: Base-Base interactions energy: -18.361 where: short stacking energy: -18.169 Base-Backbone interact. energy: -0.000 local terms energy: -26.848922 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -6.984 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -2.101 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: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -75.075015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.075015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.075015 (E_RNA) where: Base-Base interactions energy: -40.354 where: short stacking energy: -18.913 Base-Backbone interact. energy: -0.095 local terms energy: -34.626605 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -73.506993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.506993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.506993 (E_RNA) where: Base-Base interactions energy: -39.242 where: short stacking energy: -29.763 Base-Backbone interact. energy: -0.019 local terms energy: -34.246552 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -2.250 tors. eta vs tors. theta energy: -7.667 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: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -52.212420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.212420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.212420 (E_RNA) where: Base-Base interactions energy: -19.960 where: short stacking energy: -19.960 Base-Backbone interact. energy: -0.000 local terms energy: -32.251718 where: bonds (distance) C4'-P energy: -7.183 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -5.893 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: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -48.272654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.272654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.272654 (E_RNA) where: Base-Base interactions energy: -17.483 where: short stacking energy: -17.483 Base-Backbone interact. energy: -0.002 local terms energy: -30.787952 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -50.934414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.934414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.934414 (E_RNA) where: Base-Base interactions energy: -18.420 where: short stacking energy: -17.000 Base-Backbone interact. energy: -0.002 local terms energy: -32.512053 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -53.281985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.281985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.281985 (E_RNA) where: Base-Base interactions energy: -21.421 where: short stacking energy: -19.434 Base-Backbone interact. energy: -0.042 local terms energy: -31.818537 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -4.458 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: 7, replica: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -47.906928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.906928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.906928 (E_RNA) where: Base-Base interactions energy: -17.593 where: short stacking energy: -17.593 Base-Backbone interact. energy: -0.032 local terms energy: -30.282222 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -1.822 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -43.206780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.206780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.206780 (E_RNA) where: Base-Base interactions energy: -15.676 where: short stacking energy: -15.676 Base-Backbone interact. energy: -0.049 local terms energy: -27.480812 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -4.039 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: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -45.594340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.594340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.594340 (E_RNA) where: Base-Base interactions energy: -14.748 where: short stacking energy: -14.748 Base-Backbone interact. energy: -0.001 local terms energy: -30.845329 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -4.937 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: 68 Temperature: 1.350000 Total energy: -40.056325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.056325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.056325 (E_RNA) where: Base-Base interactions energy: -16.042 where: short stacking energy: -13.615 Base-Backbone interact. energy: -0.334 local terms energy: -23.679675 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -5.127 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: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -68.532101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.532101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.532101 (E_RNA) where: Base-Base interactions energy: -30.775 where: short stacking energy: -30.775 Base-Backbone interact. energy: -0.000 local terms energy: -37.757355 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -9.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -57.545837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.545837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.545837 (E_RNA) where: Base-Base interactions energy: -22.623 where: short stacking energy: -21.175 Base-Backbone interact. energy: -0.005 local terms energy: -34.918570 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -2.680 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: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -57.486327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.486327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.486327 (E_RNA) where: Base-Base interactions energy: -23.976 where: short stacking energy: -23.976 Base-Backbone interact. energy: -0.000 local terms energy: -33.509585 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -4.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -48.287661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.287661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.287661 (E_RNA) where: Base-Base interactions energy: -16.861 where: short stacking energy: -16.861 Base-Backbone interact. energy: -0.117 local terms energy: -31.309538 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.850 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: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -50.859276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.859276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.859276 (E_RNA) where: Base-Base interactions energy: -21.696 where: short stacking energy: -21.696 Base-Backbone interact. energy: -0.024 local terms energy: -29.139173 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -5.520 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -4.795 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: 6, replica: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -54.419406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.419406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.419406 (E_RNA) where: Base-Base interactions energy: -24.215 where: short stacking energy: -24.215 Base-Backbone interact. energy: -0.083 local terms energy: -30.121312 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -44.041656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.041656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.041656 (E_RNA) where: Base-Base interactions energy: -13.443 where: short stacking energy: -13.443 Base-Backbone interact. energy: -0.074 local terms energy: -30.524848 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -43.139025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.139025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.139025 (E_RNA) where: Base-Base interactions energy: -14.136 where: short stacking energy: -14.136 Base-Backbone interact. energy: -0.024 local terms energy: -28.978957 where: bonds (distance) C4'-P energy: -5.830 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -5.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -43.352743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.352743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.352743 (E_RNA) where: Base-Base interactions energy: -16.737 where: short stacking energy: -16.737 Base-Backbone interact. energy: -0.001 local terms energy: -26.615084 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -41.982053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.982053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.982053 (E_RNA) where: Base-Base interactions energy: -17.488 where: short stacking energy: -16.055 Base-Backbone interact. energy: -0.014 local terms energy: -24.479543 where: bonds (distance) C4'-P energy: -1.925 bonds (distance) P-C4' energy: -8.247 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -1.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -72.502177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.502177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.502177 (E_RNA) where: Base-Base interactions energy: -34.072 where: short stacking energy: -34.072 Base-Backbone interact. energy: -0.011 local terms energy: -38.418501 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -8.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -50.993703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.993703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.993703 (E_RNA) where: Base-Base interactions energy: -20.749 where: short stacking energy: -14.809 Base-Backbone interact. energy: -0.357 local terms energy: -29.887969 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -64.283103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.283103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.283103 (E_RNA) where: Base-Base interactions energy: -29.610 where: short stacking energy: -27.547 Base-Backbone interact. energy: -0.000 local terms energy: -34.672527 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -9.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -71.592545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.592545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.592545 (E_RNA) where: Base-Base interactions energy: -32.211 where: short stacking energy: -32.211 Base-Backbone interact. energy: -0.001 local terms energy: -39.380117 where: bonds (distance) C4'-P energy: -7.174 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -10.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -51.045618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.045618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.045618 (E_RNA) where: Base-Base interactions energy: -20.607 where: short stacking energy: -20.607 Base-Backbone interact. energy: -0.015 local terms energy: -30.423040 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -1.189 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -4.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -52.170890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.170890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.170890 (E_RNA) where: Base-Base interactions energy: -17.418 where: short stacking energy: -17.418 Base-Backbone interact. energy: -0.001 local terms energy: -34.752673 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -6.949 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: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -44.121776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.121776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.121776 (E_RNA) where: Base-Base interactions energy: -17.451 where: short stacking energy: -17.451 Base-Backbone interact. energy: 0.263 local terms energy: -26.933868 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: 0.008 tors. eta vs tors. theta energy: -4.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -42.963976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.963976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.963976 (E_RNA) where: Base-Base interactions energy: -18.640 where: short stacking energy: -13.024 Base-Backbone interact. energy: -0.018 local terms energy: -24.305992 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -42.834352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.834352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.834352 (E_RNA) where: Base-Base interactions energy: -14.298 where: short stacking energy: -14.298 Base-Backbone interact. energy: -0.100 local terms energy: -28.436754 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -5.943 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: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -40.500239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.500239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.500239 (E_RNA) where: Base-Base interactions energy: -15.025 where: short stacking energy: -14.702 Base-Backbone interact. energy: -0.006 local terms energy: -25.468863 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -5.682 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -5.482 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: 71 Temperature: 0.900000 Total energy: -67.013785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.013785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.013785 (E_RNA) where: Base-Base interactions energy: -31.604 where: short stacking energy: -31.604 Base-Backbone interact. energy: -0.000 local terms energy: -35.409768 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -7.036 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -9.454 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: 2, replica: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -60.756281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.756281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.756281 (E_RNA) where: Base-Base interactions energy: -29.817 where: short stacking energy: -26.770 Base-Backbone interact. energy: -0.006 local terms energy: -30.934203 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: 2.031 tors. eta vs tors. theta energy: -8.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -65.031852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.031852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.031852 (E_RNA) where: Base-Base interactions energy: -29.667 where: short stacking energy: -24.100 Base-Backbone interact. energy: -0.001 local terms energy: -35.364117 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -4.694 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: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -51.204187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.204187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.204187 (E_RNA) where: Base-Base interactions energy: -21.967 where: short stacking energy: -19.777 Base-Backbone interact. energy: -0.200 local terms energy: -29.036886 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -1.434 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: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -57.742584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.742584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.742584 (E_RNA) where: Base-Base interactions energy: -23.321 where: short stacking energy: -23.321 Base-Backbone interact. energy: -0.012 local terms energy: -34.408939 where: bonds (distance) C4'-P energy: -6.152 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -6.268 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -51.057387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.057387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.057387 (E_RNA) where: Base-Base interactions energy: -20.179 where: short stacking energy: -20.179 Base-Backbone interact. energy: -0.000 local terms energy: -30.878625 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -5.117 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: 4 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -50.653867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.653867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.653867 (E_RNA) where: Base-Base interactions energy: -22.720 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.101 local terms energy: -27.833114 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -39.473458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.473458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.473458 (E_RNA) where: Base-Base interactions energy: -14.381 where: short stacking energy: -14.381 Base-Backbone interact. energy: -0.001 local terms energy: -25.092069 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -6.964 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -45.043704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.043704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.043704 (E_RNA) where: Base-Base interactions energy: -15.457 where: short stacking energy: -15.457 Base-Backbone interact. energy: -0.012 local terms energy: -29.575298 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -40.862933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.862933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.862933 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.191 local terms energy: -28.510092 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -73.024954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.024954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.024954 (E_RNA) where: Base-Base interactions energy: -42.115 where: short stacking energy: -22.377 Base-Backbone interact. energy: -0.068 local terms energy: -30.842052 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -5.549 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: 2, replica: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -65.463453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.463453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.463453 (E_RNA) where: Base-Base interactions energy: -27.735 where: short stacking energy: -27.735 Base-Backbone interact. energy: -0.010 local terms energy: -37.718702 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -9.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -52.916903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.916903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.916903 (E_RNA) where: Base-Base interactions energy: -19.899 where: short stacking energy: -19.899 Base-Backbone interact. energy: -0.030 local terms energy: -32.987721 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -52.522198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.522198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.522198 (E_RNA) where: Base-Base interactions energy: -19.785 where: short stacking energy: -11.514 Base-Backbone interact. energy: -0.001 local terms energy: -32.737044 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -67.462360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.462360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.462360 (E_RNA) where: Base-Base interactions energy: -31.744 where: short stacking energy: -31.744 Base-Backbone interact. energy: -0.020 local terms energy: -35.698502 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -5.482 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -6.703 tors. eta vs tors. theta energy: -9.522 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: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -56.609583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.609583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.609583 (E_RNA) where: Base-Base interactions energy: -26.149 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.107 local terms energy: -30.353548 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -51.643009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.643009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.643009 (E_RNA) where: Base-Base interactions energy: -22.875 where: short stacking energy: -22.760 Base-Backbone interact. energy: -0.000 local terms energy: -28.767968 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -2.476 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: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -41.692886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.692886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.692886 (E_RNA) where: Base-Base interactions energy: -14.218 where: short stacking energy: -11.524 Base-Backbone interact. energy: -0.000 local terms energy: -27.474584 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -41.154157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.154157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.154157 (E_RNA) where: Base-Base interactions energy: -17.424 where: short stacking energy: -15.312 Base-Backbone interact. energy: -0.008 local terms energy: -23.721894 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -1.780 tors. eta vs tors. theta energy: -0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -42.102066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.102066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.102066 (E_RNA) where: Base-Base interactions energy: -14.097 where: short stacking energy: -9.311 Base-Backbone interact. energy: -0.020 local terms energy: -27.985003 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -63.515677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.515677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.515677 (E_RNA) where: Base-Base interactions energy: -30.127 where: short stacking energy: -30.127 Base-Backbone interact. energy: -0.096 local terms energy: -33.293489 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -67.132743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.132743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.132743 (E_RNA) where: Base-Base interactions energy: -33.649 where: short stacking energy: -31.305 Base-Backbone interact. energy: -0.021 local terms energy: -33.463353 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -6.198 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: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -57.114591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.114591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.114591 (E_RNA) where: Base-Base interactions energy: -27.067 where: short stacking energy: -23.088 Base-Backbone interact. energy: -0.004 local terms energy: -30.043017 where: bonds (distance) C4'-P energy: -8.014 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -5.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -58.197291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.197291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.197291 (E_RNA) where: Base-Base interactions energy: -23.704 where: short stacking energy: -17.473 Base-Backbone interact. energy: -0.013 local terms energy: -34.479931 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -53.563343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.563343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.563343 (E_RNA) where: Base-Base interactions energy: -19.481 where: short stacking energy: -19.481 Base-Backbone interact. energy: -0.000 local terms energy: -34.082021 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -6.048 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: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -60.981407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.981407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.981407 (E_RNA) where: Base-Base interactions energy: -28.965 where: short stacking energy: -16.982 Base-Backbone interact. energy: -0.020 local terms energy: -31.996174 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -55.584047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.584047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.584047 (E_RNA) where: Base-Base interactions energy: -26.295 where: short stacking energy: -22.202 Base-Backbone interact. energy: -0.073 local terms energy: -29.215438 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -42.274299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.274299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.274299 (E_RNA) where: Base-Base interactions energy: -18.235 where: short stacking energy: -11.653 Base-Backbone interact. energy: -0.166 local terms energy: -23.873461 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: 0.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -36.676186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.676186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.676186 (E_RNA) where: Base-Base interactions energy: -9.967 where: short stacking energy: -9.967 Base-Backbone interact. energy: -0.003 local terms energy: -26.706186 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -40.319356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.319356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.319356 (E_RNA) where: Base-Base interactions energy: -18.188 where: short stacking energy: -14.934 Base-Backbone interact. energy: -0.084 local terms energy: -22.047420 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -60.339314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.339314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.339314 (E_RNA) where: Base-Base interactions energy: -27.567 where: short stacking energy: -27.567 Base-Backbone interact. energy: -0.003 local terms energy: -32.769040 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -77.819193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.819193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.819193 (E_RNA) where: Base-Base interactions energy: -42.031 where: short stacking energy: -29.505 Base-Backbone interact. energy: 3.160 local terms energy: -38.947840 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -8.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -61.320373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.320373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.320373 (E_RNA) where: Base-Base interactions energy: -26.864 where: short stacking energy: -26.864 Base-Backbone interact. energy: -0.000 local terms energy: -34.456318 where: bonds (distance) C4'-P energy: -4.588 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -9.083 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -51.210439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.210439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.210439 (E_RNA) where: Base-Base interactions energy: -24.474 where: short stacking energy: -24.474 Base-Backbone interact. energy: -0.021 local terms energy: -26.714514 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -7.496 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -2.334 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: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -47.992455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.992455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.992455 (E_RNA) where: Base-Base interactions energy: -17.051 where: short stacking energy: -17.051 Base-Backbone interact. energy: -0.279 local terms energy: -30.662485 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -3.778 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: 6, replica: 9 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -45.190852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.190852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.190852 (E_RNA) where: Base-Base interactions energy: -17.971 where: short stacking energy: -16.386 Base-Backbone interact. energy: -0.017 local terms energy: -27.202529 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -50.668056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.668056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.668056 (E_RNA) where: Base-Base interactions energy: -18.257 where: short stacking energy: -18.257 Base-Backbone interact. energy: -0.001 local terms energy: -32.410342 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -4.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -46.014542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.014542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.014542 (E_RNA) where: Base-Base interactions energy: -19.047 where: short stacking energy: -19.047 Base-Backbone interact. energy: -0.001 local terms energy: -26.966368 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.725 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: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -44.325606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.325606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.325606 (E_RNA) where: Base-Base interactions energy: -20.966 where: short stacking energy: -10.617 Base-Backbone interact. energy: -0.152 local terms energy: -23.206808 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: 1.317 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: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -38.724287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.724287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.724287 (E_RNA) where: Base-Base interactions energy: -19.009 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.002 local terms energy: -19.713791 where: bonds (distance) C4'-P energy: -3.648 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -0.493 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: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -60.758990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.758990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.758990 (E_RNA) where: Base-Base interactions energy: -25.740 where: short stacking energy: -25.740 Base-Backbone interact. energy: -0.062 local terms energy: -34.957276 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -5.413 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: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -81.547615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.547615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.547615 (E_RNA) where: Base-Base interactions energy: -47.404 where: short stacking energy: -27.759 Base-Backbone interact. energy: -0.002 local terms energy: -34.142123 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -54.904230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.904230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.904230 (E_RNA) where: Base-Base interactions energy: -26.274 where: short stacking energy: -14.948 Base-Backbone interact. energy: -0.027 local terms energy: -28.603325 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -55.763864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.763864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.763864 (E_RNA) where: Base-Base interactions energy: -22.566 where: short stacking energy: -22.566 Base-Backbone interact. energy: -0.016 local terms energy: -33.182140 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -4.959 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: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -50.557910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.557910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.557910 (E_RNA) where: Base-Base interactions energy: -21.586 where: short stacking energy: -21.586 Base-Backbone interact. energy: -0.170 local terms energy: -28.801128 where: bonds (distance) C4'-P energy: -8.208 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -3.997 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: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -48.696970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.696970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.696970 (E_RNA) where: Base-Base interactions energy: -16.712 where: short stacking energy: -16.712 Base-Backbone interact. energy: -0.064 local terms energy: -31.921761 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -44.764499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.764499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.764499 (E_RNA) where: Base-Base interactions energy: -19.119 where: short stacking energy: -19.119 Base-Backbone interact. energy: 1.844 local terms energy: -27.489525 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -5.026 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: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -40.732497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.732497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.732497 (E_RNA) where: Base-Base interactions energy: -8.659 where: short stacking energy: -8.659 Base-Backbone interact. energy: -0.004 local terms energy: -32.069343 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -43.761143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.761143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.761143 (E_RNA) where: Base-Base interactions energy: -18.381 where: short stacking energy: -11.829 Base-Backbone interact. energy: -0.143 local terms energy: -25.237149 where: bonds (distance) C4'-P energy: -6.330 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -1.915 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: 10, replica: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -40.923549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.923549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.923549 (E_RNA) where: Base-Base interactions energy: -11.842 where: short stacking energy: -11.842 Base-Backbone interact. energy: -0.075 local terms energy: -29.006386 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -80.323377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.323377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.323377 (E_RNA) where: Base-Base interactions energy: -47.829 where: short stacking energy: -31.956 Base-Backbone interact. energy: -0.000 local terms energy: -32.494449 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -7.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -58.062735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.062735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.062735 (E_RNA) where: Base-Base interactions energy: -22.140 where: short stacking energy: -22.140 Base-Backbone interact. energy: -0.000 local terms energy: -35.922164 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -5.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -53.775286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.775286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.775286 (E_RNA) where: Base-Base interactions energy: -19.067 where: short stacking energy: -16.394 Base-Backbone interact. energy: -0.164 local terms energy: -34.544228 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -6.325 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: 76 Temperature: 1.050000 Total energy: -60.564975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.564975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.564975 (E_RNA) where: Base-Base interactions energy: -24.959 where: short stacking energy: -24.959 Base-Backbone interact. energy: -0.009 local terms energy: -35.597061 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -5.068 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: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -51.959033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.959033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.959033 (E_RNA) where: Base-Base interactions energy: -22.737 where: short stacking energy: -13.213 Base-Backbone interact. energy: -0.120 local terms energy: -29.102298 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -5.955 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: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -46.175912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.175912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.175912 (E_RNA) where: Base-Base interactions energy: -15.829 where: short stacking energy: -15.829 Base-Backbone interact. energy: -0.147 local terms energy: -30.199538 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -2.618 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: 4 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -44.408662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.408662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.408662 (E_RNA) where: Base-Base interactions energy: -25.044 where: short stacking energy: -8.984 Base-Backbone interact. energy: -0.106 local terms energy: -19.258723 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.373 flat angles C4'-P-C4' energy: -3.311 flat angles P-C4'-P energy: 0.306 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -43.940078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.940078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.940078 (E_RNA) where: Base-Base interactions energy: -18.049 where: short stacking energy: -15.880 Base-Backbone interact. energy: -0.033 local terms energy: -25.858478 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -41.820448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.820448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.820448 (E_RNA) where: Base-Base interactions energy: -17.601 where: short stacking energy: -17.601 Base-Backbone interact. energy: -0.341 local terms energy: -23.878610 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -39.713982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.713982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.713982 (E_RNA) where: Base-Base interactions energy: -23.576 where: short stacking energy: -13.404 Base-Backbone interact. energy: -0.061 local terms energy: -16.077126 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: 1.177 tors. eta vs tors. theta energy: -0.913 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: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -80.709537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.709537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.709537 (E_RNA) where: Base-Base interactions energy: -46.903 where: short stacking energy: -25.229 Base-Backbone interact. energy: 1.472 local terms energy: -35.278473 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -6.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -60.151090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.151090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.151090 (E_RNA) where: Base-Base interactions energy: -25.297 where: short stacking energy: -25.297 Base-Backbone interact. energy: -0.001 local terms energy: -34.853354 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -6.802 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: 7 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -64.156815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.156815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.156815 (E_RNA) where: Base-Base interactions energy: -34.023 where: short stacking energy: -18.958 Base-Backbone interact. energy: -0.001 local terms energy: -30.133638 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -2.776 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: 8 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -55.293706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.293706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.293706 (E_RNA) where: Base-Base interactions energy: -21.423 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.039 local terms energy: -33.832216 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -56.066097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.066097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.066097 (E_RNA) where: Base-Base interactions energy: -24.246 where: short stacking energy: -24.246 Base-Backbone interact. energy: -0.000 local terms energy: -31.819484 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -5.226 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -6.683 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: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -48.997767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.997767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.997767 (E_RNA) where: Base-Base interactions energy: -20.559 where: short stacking energy: -20.559 Base-Backbone interact. energy: -0.024 local terms energy: -28.414234 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -39.594474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.594474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.594474 (E_RNA) where: Base-Base interactions energy: -6.168 where: short stacking energy: -6.168 Base-Backbone interact. energy: -0.032 local terms energy: -33.394255 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.913 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -47.904143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.904143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.904143 (E_RNA) where: Base-Base interactions energy: -19.244 where: short stacking energy: -14.130 Base-Backbone interact. energy: -0.450 local terms energy: -28.209763 where: bonds (distance) C4'-P energy: -9.269 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -40.324466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.324466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.324466 (E_RNA) where: Base-Base interactions energy: -11.094 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.119 local terms energy: -29.111955 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.674 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: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -42.868329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.868329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.868329 (E_RNA) where: Base-Base interactions energy: -14.843 where: short stacking energy: -14.843 Base-Backbone interact. energy: -0.023 local terms energy: -28.002438 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -2.369 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: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -85.179384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.179384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.179384 (E_RNA) where: Base-Base interactions energy: -45.073 where: short stacking energy: -25.717 Base-Backbone interact. energy: -0.004 local terms energy: -40.102556 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -7.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -55.517397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.517397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.517397 (E_RNA) where: Base-Base interactions energy: -23.360 where: short stacking energy: -20.550 Base-Backbone interact. energy: -0.100 local terms energy: -32.057253 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -4.789 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: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -61.830229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.830229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.830229 (E_RNA) where: Base-Base interactions energy: -28.878 where: short stacking energy: -28.878 Base-Backbone interact. energy: -0.000 local terms energy: -32.952146 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: -8.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -59.555959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.555959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.555959 (E_RNA) where: Base-Base interactions energy: -24.602 where: short stacking energy: -18.245 Base-Backbone interact. energy: -0.001 local terms energy: -34.952451 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -62.198038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.198038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.198038 (E_RNA) where: Base-Base interactions energy: -23.735 where: short stacking energy: -23.735 Base-Backbone interact. energy: -0.004 local terms energy: -38.458703 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -8.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -49.274885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.274885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.274885 (E_RNA) where: Base-Base interactions energy: -14.608 where: short stacking energy: -14.608 Base-Backbone interact. energy: -0.009 local terms energy: -34.657089 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -52.473592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.473592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.473592 (E_RNA) where: Base-Base interactions energy: -23.534 where: short stacking energy: -10.470 Base-Backbone interact. energy: -0.216 local terms energy: -28.723563 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: 1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -47.671190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.671190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.671190 (E_RNA) where: Base-Base interactions energy: -18.021 where: short stacking energy: -15.103 Base-Backbone interact. energy: -0.000 local terms energy: -29.650427 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -48.600541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.600541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.600541 (E_RNA) where: Base-Base interactions energy: -19.216 where: short stacking energy: -19.216 Base-Backbone interact. energy: -0.039 local terms energy: -29.345233 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -5.908 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: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -40.300534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.300534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.300534 (E_RNA) where: Base-Base interactions energy: -16.302 where: short stacking energy: -10.828 Base-Backbone interact. energy: -0.177 local terms energy: -23.821059 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -83.338125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.338125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.338125 (E_RNA) where: Base-Base interactions energy: -51.261 where: short stacking energy: -31.320 Base-Backbone interact. energy: -0.006 local terms energy: -32.070860 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.641 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: 2, replica: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -67.999859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.999859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.999859 (E_RNA) where: Base-Base interactions energy: -30.653 where: short stacking energy: -30.653 Base-Backbone interact. energy: -0.000 local terms energy: -37.346767 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -9.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -66.560250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.560250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.560250 (E_RNA) where: Base-Base interactions energy: -27.660 where: short stacking energy: -27.660 Base-Backbone interact. energy: -0.033 local terms energy: -38.867061 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -8.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -57.097835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.097835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.097835 (E_RNA) where: Base-Base interactions energy: -25.490 where: short stacking energy: -20.810 Base-Backbone interact. energy: -0.001 local terms energy: -31.607018 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -55.594645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.594645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.594645 (E_RNA) where: Base-Base interactions energy: -24.379 where: short stacking energy: -24.379 Base-Backbone interact. energy: -0.001 local terms energy: -31.215472 where: bonds (distance) C4'-P energy: -3.853 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -51.319787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.319787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.319787 (E_RNA) where: Base-Base interactions energy: -21.506 where: short stacking energy: -21.506 Base-Backbone interact. energy: -0.000 local terms energy: -29.813778 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -2.117 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: 7, replica: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -50.729009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.729009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.729009 (E_RNA) where: Base-Base interactions energy: -21.798 where: short stacking energy: -17.432 Base-Backbone interact. energy: 0.386 local terms energy: -29.316788 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -3.877 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: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -40.530255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.530255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.530255 (E_RNA) where: Base-Base interactions energy: -11.960 where: short stacking energy: -11.960 Base-Backbone interact. energy: -0.063 local terms energy: -28.507453 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -4.601 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: 9, replica: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -40.791778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.791778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.791778 (E_RNA) where: Base-Base interactions energy: -17.050 where: short stacking energy: -16.903 Base-Backbone interact. energy: -0.083 local terms energy: -23.659078 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -6.637 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -45.765769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.765769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.765769 (E_RNA) where: Base-Base interactions energy: -20.395 where: short stacking energy: -20.395 Base-Backbone interact. energy: -0.021 local terms energy: -25.350517 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -0.501 tors. eta vs tors. theta energy: -6.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -74.050116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.050116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.050116 (E_RNA) where: Base-Base interactions energy: -35.953 where: short stacking energy: -35.855 Base-Backbone interact. energy: -0.000 local terms energy: -38.096630 where: bonds (distance) C4'-P energy: -7.406 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -9.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -58.478885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.478885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.478885 (E_RNA) where: Base-Base interactions energy: -24.026 where: short stacking energy: -22.482 Base-Backbone interact. energy: -0.100 local terms energy: -34.352875 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -5.850 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: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -64.359192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.359192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.359192 (E_RNA) where: Base-Base interactions energy: -30.401 where: short stacking energy: -29.599 Base-Backbone interact. energy: -0.003 local terms energy: -33.955598 where: bonds (distance) C4'-P energy: -5.522 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -6.230 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: 4, replica: 6 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -62.378673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.378673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.378673 (E_RNA) where: Base-Base interactions energy: -23.331 where: short stacking energy: -23.331 Base-Backbone interact. energy: -0.005 local terms energy: -39.042444 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -5.115 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: 5, replica: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -50.837042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.837042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.837042 (E_RNA) where: Base-Base interactions energy: -19.930 where: short stacking energy: -19.930 Base-Backbone interact. energy: -0.001 local terms energy: -30.905713 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -6.981 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -49.483071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.483071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.483071 (E_RNA) where: Base-Base interactions energy: -23.781 where: short stacking energy: -15.790 Base-Backbone interact. energy: -0.033 local terms energy: -25.669481 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: 0.575 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: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -48.759220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.759220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.759220 (E_RNA) where: Base-Base interactions energy: -18.464 where: short stacking energy: -18.464 Base-Backbone interact. energy: -0.034 local terms energy: -30.260959 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -5.978 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: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -46.587261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.587261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.587261 (E_RNA) where: Base-Base interactions energy: -16.899 where: short stacking energy: -16.899 Base-Backbone interact. energy: -0.000 local terms energy: -29.688148 where: bonds (distance) C4'-P energy: -3.457 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -3.417 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: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -54.170125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.170125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.170125 (E_RNA) where: Base-Base interactions energy: -25.415 where: short stacking energy: -10.217 Base-Backbone interact. energy: -0.031 local terms energy: -28.723798 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -5.617 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: 10, replica: 3 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -46.370505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.370505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.370505 (E_RNA) where: Base-Base interactions energy: -16.547 where: short stacking energy: -15.032 Base-Backbone interact. energy: 1.372 local terms energy: -31.195409 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.628 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: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -73.415294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.415294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.415294 (E_RNA) where: Base-Base interactions energy: -38.308 where: short stacking energy: -27.121 Base-Backbone interact. energy: 0.115 local terms energy: -35.222477 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -4.158 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: 2, replica: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -58.195020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.195020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.195020 (E_RNA) where: Base-Base interactions energy: -19.119 where: short stacking energy: -19.119 Base-Backbone interact. energy: -0.009 local terms energy: -39.067019 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -7.095 tors. eta vs tors. theta energy: -7.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -60.118943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.118943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.118943 (E_RNA) where: Base-Base interactions energy: -24.976 where: short stacking energy: -24.976 Base-Backbone interact. energy: -0.000 local terms energy: -35.142072 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -4.496 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: 4, replica: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -65.567535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.567535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.567535 (E_RNA) where: Base-Base interactions energy: -27.676 where: short stacking energy: -27.676 Base-Backbone interact. energy: -0.000 local terms energy: -37.891903 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -7.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -54.995588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.995588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.995588 (E_RNA) where: Base-Base interactions energy: -21.774 where: short stacking energy: -14.616 Base-Backbone interact. energy: -0.722 local terms energy: -32.499814 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -49.555603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.555603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.555603 (E_RNA) where: Base-Base interactions energy: -18.351 where: short stacking energy: -12.417 Base-Backbone interact. energy: -0.018 local terms energy: -31.186397 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -46.726491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.726491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.726491 (E_RNA) where: Base-Base interactions energy: -18.874 where: short stacking energy: -18.874 Base-Backbone interact. energy: -0.029 local terms energy: -27.823321 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -2.743 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -46.857049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.857049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.857049 (E_RNA) where: Base-Base interactions energy: -17.750 where: short stacking energy: -17.750 Base-Backbone interact. energy: -0.000 local terms energy: -29.107251 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -44.500470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.500470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.500470 (E_RNA) where: Base-Base interactions energy: -19.954 where: short stacking energy: -19.954 Base-Backbone interact. energy: -0.084 local terms energy: -24.462457 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -0.853 flat angles P-C4'-P energy: -3.887 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: 10, replica: 3 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -44.066271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.066271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.066271 (E_RNA) where: Base-Base interactions energy: -17.851 where: short stacking energy: -17.575 Base-Backbone interact. energy: -0.001 local terms energy: -26.214558 where: bonds (distance) C4'-P energy: -1.725 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -64.511984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.511984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.511984 (E_RNA) where: Base-Base interactions energy: -28.389 where: short stacking energy: -28.389 Base-Backbone interact. energy: -0.000 local terms energy: -36.122469 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -7.746 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: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -61.356351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.356351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.356351 (E_RNA) where: Base-Base interactions energy: -27.272 where: short stacking energy: -27.272 Base-Backbone interact. energy: -0.000 local terms energy: -34.083828 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -4.682 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: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -64.692175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.692175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.692175 (E_RNA) where: Base-Base interactions energy: -33.474 where: short stacking energy: -19.704 Base-Backbone interact. energy: -0.000 local terms energy: -31.218387 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -6.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -58.915734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.915734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.915734 (E_RNA) where: Base-Base interactions energy: -28.305 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.014 local terms energy: -30.596021 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -6.662 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: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -55.422553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.422553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.422553 (E_RNA) where: Base-Base interactions energy: -28.598 where: short stacking energy: -16.851 Base-Backbone interact. energy: -0.007 local terms energy: -26.817994 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -6.664 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -54.231350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.231350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.231350 (E_RNA) where: Base-Base interactions energy: -21.447 where: short stacking energy: -21.447 Base-Backbone interact. energy: -2.022 local terms energy: -30.761962 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -41.477949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.477949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.477949 (E_RNA) where: Base-Base interactions energy: -18.573 where: short stacking energy: -18.573 Base-Backbone interact. energy: -0.001 local terms energy: -22.904022 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -6.459 flat angles C4'-P-C4' energy: -1.705 flat angles P-C4'-P energy: -4.259 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: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -48.189706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.189706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.189706 (E_RNA) where: Base-Base interactions energy: -21.230 where: short stacking energy: -21.230 Base-Backbone interact. energy: -0.129 local terms energy: -26.830751 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -45.954149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.954149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.954149 (E_RNA) where: Base-Base interactions energy: -16.842 where: short stacking energy: -16.842 Base-Backbone interact. energy: -0.011 local terms energy: -29.100548 where: bonds (distance) C4'-P energy: -5.771 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -3.699 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: 10, replica: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -41.426349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.426349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.426349 (E_RNA) where: Base-Base interactions energy: -17.218 where: short stacking energy: -13.248 Base-Backbone interact. energy: -0.037 local terms energy: -24.171379 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -2.715 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: 1, replica: 4 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -76.757814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.757814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.757814 (E_RNA) where: Base-Base interactions energy: -47.201 where: short stacking energy: -27.293 Base-Backbone interact. energy: -0.032 local terms energy: -29.524869 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -6.059 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: 2, replica: 9 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -73.498222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.498222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.498222 (E_RNA) where: Base-Base interactions energy: -40.337 where: short stacking energy: -29.028 Base-Backbone interact. energy: -0.001 local terms energy: -33.160363 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.621 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: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -57.417095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.417095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.417095 (E_RNA) where: Base-Base interactions energy: -21.686 where: short stacking energy: -21.686 Base-Backbone interact. energy: -0.002 local terms energy: -35.729036 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -7.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -54.443674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.443674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.443674 (E_RNA) where: Base-Base interactions energy: -24.331 where: short stacking energy: -15.278 Base-Backbone interact. energy: -0.123 local terms energy: -29.989610 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -47.816855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.816855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.816855 (E_RNA) where: Base-Base interactions energy: -17.608 where: short stacking energy: -12.553 Base-Backbone interact. energy: -0.021 local terms energy: -30.187587 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -5.184 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: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -41.350127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.350127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.350127 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.157 local terms energy: -28.542107 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -51.941653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.941653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.941653 (E_RNA) where: Base-Base interactions energy: -26.245 where: short stacking energy: -16.654 Base-Backbone interact. energy: -0.005 local terms energy: -25.691833 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -3.370 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: 8, replica: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -59.669584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.669584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.669584 (E_RNA) where: Base-Base interactions energy: -37.446 where: short stacking energy: -16.421 Base-Backbone interact. energy: -0.277 local terms energy: -21.946630 where: bonds (distance) C4'-P energy: -5.836 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -1.696 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -46.540612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.540612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.540612 (E_RNA) where: Base-Base interactions energy: -14.110 where: short stacking energy: -14.110 Base-Backbone interact. energy: -0.326 local terms energy: -32.103863 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -6.720 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: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -51.859875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.859875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.859875 (E_RNA) where: Base-Base interactions energy: -19.150 where: short stacking energy: -17.452 Base-Backbone interact. energy: -0.325 local terms energy: -32.385245 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -6.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -75.806846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.806846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.806846 (E_RNA) where: Base-Base interactions energy: -42.820 where: short stacking energy: -22.705 Base-Backbone interact. energy: -0.127 local terms energy: -32.859827 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -59.245486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.245486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.245486 (E_RNA) where: Base-Base interactions energy: -23.871 where: short stacking energy: -23.871 Base-Backbone interact. energy: -0.001 local terms energy: -35.374223 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -5.531 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: 3, replica: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -59.974757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.974757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.974757 (E_RNA) where: Base-Base interactions energy: -26.162 where: short stacking energy: -22.736 Base-Backbone interact. energy: -0.378 local terms energy: -33.434016 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -5.120 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: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -67.656380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.656380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.656380 (E_RNA) where: Base-Base interactions energy: -33.031 where: short stacking energy: -28.370 Base-Backbone interact. energy: -0.024 local terms energy: -34.601390 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -6.596 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -8.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -47.531424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.531424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.531424 (E_RNA) where: Base-Base interactions energy: -20.805 where: short stacking energy: -20.805 Base-Backbone interact. energy: -0.012 local terms energy: -26.714585 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -47.820045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.820045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.820045 (E_RNA) where: Base-Base interactions energy: -25.366 where: short stacking energy: -10.863 Base-Backbone interact. energy: 0.569 local terms energy: -23.022719 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: 3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -49.943298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.943298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.943298 (E_RNA) where: Base-Base interactions energy: -17.996 where: short stacking energy: -17.996 Base-Backbone interact. energy: -0.002 local terms energy: -31.944515 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -6.298 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: 8, replica: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -48.254375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.254375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.254375 (E_RNA) where: Base-Base interactions energy: -16.929 where: short stacking energy: -15.162 Base-Backbone interact. energy: -0.024 local terms energy: -31.301237 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -44.044999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.044999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.044999 (E_RNA) where: Base-Base interactions energy: -17.042 where: short stacking energy: -17.042 Base-Backbone interact. energy: -0.026 local terms energy: -26.977600 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -48.441274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.441274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.441274 (E_RNA) where: Base-Base interactions energy: -12.762 where: short stacking energy: -12.689 Base-Backbone interact. energy: -0.012 local terms energy: -35.667068 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -4.901 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: 1, replica: 4 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -64.899612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.899612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.899612 (E_RNA) where: Base-Base interactions energy: -31.013 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.000 local terms energy: -33.886374 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -58.239444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.239444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.239444 (E_RNA) where: Base-Base interactions energy: -24.849 where: short stacking energy: -23.465 Base-Backbone interact. energy: -0.002 local terms energy: -33.388302 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.178 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -62.814596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.814596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.814596 (E_RNA) where: Base-Base interactions energy: -26.479 where: short stacking energy: -26.479 Base-Backbone interact. energy: -0.000 local terms energy: -36.335374 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -8.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -51.300701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.300701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.300701 (E_RNA) where: Base-Base interactions energy: -21.297 where: short stacking energy: -21.297 Base-Backbone interact. energy: -0.102 local terms energy: -29.901576 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -6.704 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -55.613421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.613421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.613421 (E_RNA) where: Base-Base interactions energy: -26.483 where: short stacking energy: -19.842 Base-Backbone interact. energy: -0.045 local terms energy: -29.085242 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -48.925843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.925843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.925843 (E_RNA) where: Base-Base interactions energy: -19.277 where: short stacking energy: -18.335 Base-Backbone interact. energy: -0.744 local terms energy: -28.904379 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -3.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -51.093195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.093195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.093195 (E_RNA) where: Base-Base interactions energy: -19.989 where: short stacking energy: -19.989 Base-Backbone interact. energy: -0.000 local terms energy: -31.104189 where: bonds (distance) C4'-P energy: -5.012 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -4.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -43.476373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.476373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.476373 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.029 Base-Backbone interact. energy: -0.121 local terms energy: -25.271058 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -4.799 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -3.125 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: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -39.984009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.984009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.984009 (E_RNA) where: Base-Base interactions energy: -15.042 where: short stacking energy: -14.708 Base-Backbone interact. energy: -0.014 local terms energy: -24.927647 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -1.728 tors. eta vs tors. theta energy: -0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -46.906084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.906084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.906084 (E_RNA) where: Base-Base interactions energy: -18.909 where: short stacking energy: -18.909 Base-Backbone interact. energy: -0.000 local terms energy: -27.997115 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -3.452 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: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -54.460013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.460013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.460013 (E_RNA) where: Base-Base interactions energy: -19.800 where: short stacking energy: -19.800 Base-Backbone interact. energy: -0.057 local terms energy: -34.602692 where: bonds (distance) C4'-P energy: -7.059 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -5.245 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: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -68.951210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.951210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.951210 (E_RNA) where: Base-Base interactions energy: -32.351 where: short stacking energy: -27.334 Base-Backbone interact. energy: -0.001 local terms energy: -36.599613 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -50.413557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.413557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.413557 (E_RNA) where: Base-Base interactions energy: -20.957 where: short stacking energy: -20.957 Base-Backbone interact. energy: 0.034 local terms energy: -29.490939 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -50.443570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.443570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.443570 (E_RNA) where: Base-Base interactions energy: -21.371 where: short stacking energy: -21.371 Base-Backbone interact. energy: -0.097 local terms energy: -28.975709 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -67.091608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.091608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.091608 (E_RNA) where: Base-Base interactions energy: -30.692 where: short stacking energy: -22.220 Base-Backbone interact. energy: -0.002 local terms energy: -36.397991 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -4.779 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: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -50.851584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.851584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.851584 (E_RNA) where: Base-Base interactions energy: -21.726 where: short stacking energy: -21.726 Base-Backbone interact. energy: -0.000 local terms energy: -29.125528 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -7.029 flat angles C4'-P-C4' energy: -9.375 flat angles P-C4'-P energy: -3.760 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: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -51.391958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.391958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.391958 (E_RNA) where: Base-Base interactions energy: -21.618 where: short stacking energy: -19.172 Base-Backbone interact. energy: 1.026 local terms energy: -30.800104 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -3.581 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: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -44.493375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.493375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.493375 (E_RNA) where: Base-Base interactions energy: -12.196 where: short stacking energy: -12.196 Base-Backbone interact. energy: -0.053 local terms energy: -32.244364 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -6.320 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: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -39.936420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.936420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.936420 (E_RNA) where: Base-Base interactions energy: -19.475 where: short stacking energy: -19.480 Base-Backbone interact. energy: -0.040 local terms energy: -20.421787 where: bonds (distance) C4'-P energy: -2.545 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -49.185724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.185724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.185724 (E_RNA) where: Base-Base interactions energy: -16.757 where: short stacking energy: -16.757 Base-Backbone interact. energy: -0.002 local terms energy: -32.427381 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -62.321279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.321279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.321279 (E_RNA) where: Base-Base interactions energy: -29.120 where: short stacking energy: -21.328 Base-Backbone interact. energy: -0.015 local terms energy: -33.186349 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -5.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -61.517848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.517848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.517848 (E_RNA) where: Base-Base interactions energy: -26.614 where: short stacking energy: -26.614 Base-Backbone interact. energy: -0.000 local terms energy: -34.903683 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -8.277 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: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -54.335081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.335081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.335081 (E_RNA) where: Base-Base interactions energy: -21.421 where: short stacking energy: -21.421 Base-Backbone interact. energy: -0.002 local terms energy: -32.911863 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -57.132523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.132523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.132523 (E_RNA) where: Base-Base interactions energy: -20.531 where: short stacking energy: -20.531 Base-Backbone interact. energy: -0.003 local terms energy: -36.598464 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -9.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -53.159048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.159048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.159048 (E_RNA) where: Base-Base interactions energy: -22.379 where: short stacking energy: -22.379 Base-Backbone interact. energy: -0.097 local terms energy: -30.683075 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.261 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -52.853927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.853927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.853927 (E_RNA) where: Base-Base interactions energy: -22.311 where: short stacking energy: -18.618 Base-Backbone interact. energy: -0.011 local terms energy: -30.531207 where: bonds (distance) C4'-P energy: -6.391 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -2.725 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: 7, replica: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -48.218347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.218347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.218347 (E_RNA) where: Base-Base interactions energy: -16.340 where: short stacking energy: -16.340 Base-Backbone interact. energy: -0.000 local terms energy: -31.878548 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.261 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: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -55.236307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.236307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.236307 (E_RNA) where: Base-Base interactions energy: -23.454 where: short stacking energy: -23.454 Base-Backbone interact. energy: -0.010 local terms energy: -31.771674 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -44.719922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.719922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.719922 (E_RNA) where: Base-Base interactions energy: -14.979 where: short stacking energy: -14.979 Base-Backbone interact. energy: -0.007 local terms energy: -29.733368 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -5.971 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: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -39.391182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.391182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.391182 (E_RNA) where: Base-Base interactions energy: -13.034 where: short stacking energy: -13.034 Base-Backbone interact. energy: -0.948 local terms energy: -25.408691 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -2.762 flat angles P-C4'-P energy: -5.066 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: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -66.023601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.023601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.023601 (E_RNA) where: Base-Base interactions energy: -28.687 where: short stacking energy: -28.687 Base-Backbone interact. energy: -0.087 local terms energy: -37.248826 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -7.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -61.155676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.155676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.155676 (E_RNA) where: Base-Base interactions energy: -25.644 where: short stacking energy: -25.644 Base-Backbone interact. energy: -0.000 local terms energy: -35.511093 where: bonds (distance) C4'-P energy: -5.328 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -58.017761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.017761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.017761 (E_RNA) where: Base-Base interactions energy: -25.419 where: short stacking energy: -25.419 Base-Backbone interact. energy: -0.034 local terms energy: -32.564512 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -5.686 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: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -60.434169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.434169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.434169 (E_RNA) where: Base-Base interactions energy: -25.247 where: short stacking energy: -24.951 Base-Backbone interact. energy: -0.000 local terms energy: -35.186771 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -7.556 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: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -59.281446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.281446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.281446 (E_RNA) where: Base-Base interactions energy: -25.917 where: short stacking energy: -25.917 Base-Backbone interact. energy: -0.116 local terms energy: -33.248521 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -7.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -45.995732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.995732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.995732 (E_RNA) where: Base-Base interactions energy: -16.506 where: short stacking energy: -16.072 Base-Backbone interact. energy: -0.094 local terms energy: -29.395468 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -45.166550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.166550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.166550 (E_RNA) where: Base-Base interactions energy: -15.737 where: short stacking energy: -15.047 Base-Backbone interact. energy: 0.737 local terms energy: -30.166559 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -4.172 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: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -40.299555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.299555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.299555 (E_RNA) where: Base-Base interactions energy: -15.184 where: short stacking energy: -15.164 Base-Backbone interact. energy: -0.000 local terms energy: -25.115046 where: bonds (distance) C4'-P energy: -5.460 bonds (distance) P-C4' energy: -5.510 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -1.816 tors. eta vs tors. theta energy: -7.528 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: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -37.327951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.327951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.327951 (E_RNA) where: Base-Base interactions energy: -11.031 where: short stacking energy: -11.031 Base-Backbone interact. energy: -0.003 local terms energy: -26.294171 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -47.948564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.948564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.948564 (E_RNA) where: Base-Base interactions energy: -18.966 where: short stacking energy: -15.227 Base-Backbone interact. energy: -0.043 local terms energy: -28.939422 where: bonds (distance) C4'-P energy: -5.270 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -6.202 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -58.867493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.867493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.867493 (E_RNA) where: Base-Base interactions energy: -25.900 where: short stacking energy: -25.900 Base-Backbone interact. energy: 0.091 local terms energy: -33.058309 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -5.136 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: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -64.192530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.192530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.192530 (E_RNA) where: Base-Base interactions energy: -29.627 where: short stacking energy: -29.355 Base-Backbone interact. energy: -0.005 local terms energy: -34.560960 where: bonds (distance) C4'-P energy: -7.273 bonds (distance) P-C4' energy: -6.542 flat angles C4'-P-C4' energy: -9.299 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -54.051312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.051312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.051312 (E_RNA) where: Base-Base interactions energy: -21.260 where: short stacking energy: -21.260 Base-Backbone interact. energy: -0.004 local terms energy: -32.787621 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -5.727 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: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -57.633407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.633407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.633407 (E_RNA) where: Base-Base interactions energy: -23.193 where: short stacking energy: -23.193 Base-Backbone interact. energy: -0.000 local terms energy: -34.440389 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -7.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -55.150353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.150353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.150353 (E_RNA) where: Base-Base interactions energy: -23.953 where: short stacking energy: -23.953 Base-Backbone interact. energy: -0.045 local terms energy: -31.152410 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -7.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -47.800344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.800344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.800344 (E_RNA) where: Base-Base interactions energy: -18.341 where: short stacking energy: -18.341 Base-Backbone interact. energy: -0.000 local terms energy: -29.459730 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -5.525 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -6.563 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -51.046892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.046892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.046892 (E_RNA) where: Base-Base interactions energy: -17.444 where: short stacking energy: -17.444 Base-Backbone interact. energy: -0.012 local terms energy: -33.590464 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -5.613 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: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -62.412099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.412099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.412099 (E_RNA) where: Base-Base interactions energy: -34.197 where: short stacking energy: -22.746 Base-Backbone interact. energy: -0.020 local terms energy: -28.195565 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -43.124802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.124802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.124802 (E_RNA) where: Base-Base interactions energy: -13.452 where: short stacking energy: -4.343 Base-Backbone interact. energy: -0.123 local terms energy: -29.549203 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -6.097 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: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -38.730324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.730324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.730324 (E_RNA) where: Base-Base interactions energy: -10.579 where: short stacking energy: -10.579 Base-Backbone interact. energy: -0.147 local terms energy: -28.004193 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -0.055 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: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -62.173067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.173067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.173067 (E_RNA) where: Base-Base interactions energy: -25.082 where: short stacking energy: -25.082 Base-Backbone interact. energy: -0.000 local terms energy: -37.091087 where: bonds (distance) C4'-P energy: -8.259 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -58.597220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.597220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.597220 (E_RNA) where: Base-Base interactions energy: -25.343 where: short stacking energy: -25.343 Base-Backbone interact. energy: -0.000 local terms energy: -33.253832 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -61.450418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.450418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.450418 (E_RNA) where: Base-Base interactions energy: -28.435 where: short stacking energy: -28.435 Base-Backbone interact. energy: -0.000 local terms energy: -33.015809 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -4.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -56.690838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.690838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.690838 (E_RNA) where: Base-Base interactions energy: -22.293 where: short stacking energy: -22.293 Base-Backbone interact. energy: -0.000 local terms energy: -34.397546 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -5.862 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: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -56.537614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.537614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.537614 (E_RNA) where: Base-Base interactions energy: -25.057 where: short stacking energy: -25.057 Base-Backbone interact. energy: -0.000 local terms energy: -31.480464 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -43.918524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.918524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.918524 (E_RNA) where: Base-Base interactions energy: -14.184 where: short stacking energy: -14.250 Base-Backbone interact. energy: -0.005 local terms energy: -29.728647 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -42.000554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.000554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.000554 (E_RNA) where: Base-Base interactions energy: -16.168 where: short stacking energy: -16.168 Base-Backbone interact. energy: -0.108 local terms energy: -25.724212 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -42.765477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.765477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.765477 (E_RNA) where: Base-Base interactions energy: -19.817 where: short stacking energy: -11.502 Base-Backbone interact. energy: 0.284 local terms energy: -23.232242 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -47.281692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.281692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.281692 (E_RNA) where: Base-Base interactions energy: -24.032 where: short stacking energy: -15.025 Base-Backbone interact. energy: 0.067 local terms energy: -23.316931 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -1.125 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: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -40.434891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.434891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.434891 (E_RNA) where: Base-Base interactions energy: -13.433 where: short stacking energy: -12.853 Base-Backbone interact. energy: -0.017 local terms energy: -26.985170 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -5.184 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: 1, replica: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -73.918464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.918464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.918464 (E_RNA) where: Base-Base interactions energy: -37.189 where: short stacking energy: -31.515 Base-Backbone interact. energy: -0.000 local terms energy: -36.729778 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -7.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -67.903787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.903787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.903787 (E_RNA) where: Base-Base interactions energy: -26.614 where: short stacking energy: -26.614 Base-Backbone interact. energy: -0.000 local terms energy: -41.290277 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -10.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -56.534821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.534821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.534821 (E_RNA) where: Base-Base interactions energy: -26.111 where: short stacking energy: -26.111 Base-Backbone interact. energy: -0.000 local terms energy: -30.423903 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -52.356126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.356126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.356126 (E_RNA) where: Base-Base interactions energy: -19.920 where: short stacking energy: -19.920 Base-Backbone interact. energy: -0.000 local terms energy: -32.435958 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -9.138 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -69.852723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.852723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.852723 (E_RNA) where: Base-Base interactions energy: -41.720 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.089 local terms energy: -28.044093 where: bonds (distance) C4'-P energy: -7.050 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -42.787404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.787404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.787404 (E_RNA) where: Base-Base interactions energy: -14.410 where: short stacking energy: -14.279 Base-Backbone interact. energy: -0.068 local terms energy: -28.308758 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.802 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -45.432936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.432936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.432936 (E_RNA) where: Base-Base interactions energy: -18.337 where: short stacking energy: -11.338 Base-Backbone interact. energy: 0.989 local terms energy: -28.084847 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -4.389 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: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -42.802584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.802584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.802584 (E_RNA) where: Base-Base interactions energy: -16.431 where: short stacking energy: -16.431 Base-Backbone interact. energy: -0.122 local terms energy: -26.249864 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -56.592885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.592885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.592885 (E_RNA) where: Base-Base interactions energy: -21.156 where: short stacking energy: -21.156 Base-Backbone interact. energy: -0.000 local terms energy: -35.437032 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -8.252 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -9.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -38.717406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.717406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.717406 (E_RNA) where: Base-Base interactions energy: -12.164 where: short stacking energy: -12.164 Base-Backbone interact. energy: -0.084 local terms energy: -26.469841 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -3.787 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: 92 Temperature: 0.900000 Total energy: -73.388194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.388194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.388194 (E_RNA) where: Base-Base interactions energy: -32.383 where: short stacking energy: -32.383 Base-Backbone interact. energy: -0.000 local terms energy: -41.005590 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -11.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -68.636867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.636867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.636867 (E_RNA) where: Base-Base interactions energy: -32.544 where: short stacking energy: -32.544 Base-Backbone interact. energy: -0.000 local terms energy: -36.092669 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -10.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -55.023186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.023186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.023186 (E_RNA) where: Base-Base interactions energy: -26.752 where: short stacking energy: -16.677 Base-Backbone interact. energy: 0.590 local terms energy: -28.861081 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -63.551698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.551698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.551698 (E_RNA) where: Base-Base interactions energy: -31.598 where: short stacking energy: -24.005 Base-Backbone interact. energy: -0.009 local terms energy: -31.944758 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -54.527388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.527388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.527388 (E_RNA) where: Base-Base interactions energy: -23.247 where: short stacking energy: -22.746 Base-Backbone interact. energy: -0.000 local terms energy: -31.280540 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -5.807 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: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -56.005882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.005882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.005882 (E_RNA) where: Base-Base interactions energy: -24.456 where: short stacking energy: -24.456 Base-Backbone interact. energy: -0.010 local terms energy: -31.540109 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -6.186 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -7.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -45.208771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.208771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.208771 (E_RNA) where: Base-Base interactions energy: -19.591 where: short stacking energy: -19.591 Base-Backbone interact. energy: -0.078 local terms energy: -25.540079 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -7.849 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -4.353 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: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -46.921789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.921789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.921789 (E_RNA) where: Base-Base interactions energy: -18.328 where: short stacking energy: -18.328 Base-Backbone interact. energy: -0.104 local terms energy: -28.489656 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -42.030096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.030096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.030096 (E_RNA) where: Base-Base interactions energy: -18.054 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.582 local terms energy: -23.394689 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -45.695802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.695802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.695802 (E_RNA) where: Base-Base interactions energy: -16.679 where: short stacking energy: -14.719 Base-Backbone interact. energy: -0.054 local terms energy: -28.962535 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -64.203701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.203701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.203701 (E_RNA) where: Base-Base interactions energy: -29.173 where: short stacking energy: -29.173 Base-Backbone interact. energy: 1.008 local terms energy: -36.038425 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -62.039416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.039416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.039416 (E_RNA) where: Base-Base interactions energy: -31.974 where: short stacking energy: -26.563 Base-Backbone interact. energy: -0.004 local terms energy: -30.060742 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.548 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: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -58.823195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.823195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.823195 (E_RNA) where: Base-Base interactions energy: -22.375 where: short stacking energy: -22.375 Base-Backbone interact. energy: -0.000 local terms energy: -36.448206 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -6.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -60.866112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.866112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.866112 (E_RNA) where: Base-Base interactions energy: -27.999 where: short stacking energy: -27.999 Base-Backbone interact. energy: -0.000 local terms energy: -32.867125 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -6.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -53.349067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.349067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.349067 (E_RNA) where: Base-Base interactions energy: -17.764 where: short stacking energy: -17.764 Base-Backbone interact. energy: -0.077 local terms energy: -35.508385 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -5.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -49.066567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.066567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.066567 (E_RNA) where: Base-Base interactions energy: -18.256 where: short stacking energy: -14.459 Base-Backbone interact. energy: -0.335 local terms energy: -30.475225 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -53.340128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.340128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.340128 (E_RNA) where: Base-Base interactions energy: -27.721 where: short stacking energy: -21.216 Base-Backbone interact. energy: -0.183 local terms energy: -25.435725 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -5.525 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: 8, replica: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -47.979427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.979427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.979427 (E_RNA) where: Base-Base interactions energy: -19.338 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.002 local terms energy: -28.639094 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -3.958 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: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -47.556152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.556152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.556152 (E_RNA) where: Base-Base interactions energy: -18.407 where: short stacking energy: -18.407 Base-Backbone interact. energy: -0.092 local terms energy: -29.056933 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.893 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: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -44.735511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.735511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.735511 (E_RNA) where: Base-Base interactions energy: -16.302 where: short stacking energy: -16.302 Base-Backbone interact. energy: -0.001 local terms energy: -28.433105 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -61.222377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.222377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.222377 (E_RNA) where: Base-Base interactions energy: -26.539 where: short stacking energy: -26.539 Base-Backbone interact. energy: -0.002 local terms energy: -34.680907 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -2.614 tors. eta vs tors. theta energy: -8.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -56.881956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.881956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.881956 (E_RNA) where: Base-Base interactions energy: -23.066 where: short stacking energy: -23.066 Base-Backbone interact. energy: 0.785 local terms energy: -34.600628 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -4.610 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: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -62.955318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.955318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.955318 (E_RNA) where: Base-Base interactions energy: -26.655 where: short stacking energy: -26.655 Base-Backbone interact. energy: -0.004 local terms energy: -36.297148 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -6.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -57.617292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.617292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.617292 (E_RNA) where: Base-Base interactions energy: -24.412 where: short stacking energy: -24.412 Base-Backbone interact. energy: -0.002 local terms energy: -33.202910 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.400 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: 5, replica: 9 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -65.477206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.477206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.477206 (E_RNA) where: Base-Base interactions energy: -29.784 where: short stacking energy: -29.784 Base-Backbone interact. energy: -0.000 local terms energy: -35.692562 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -1.862 tors. eta vs tors. theta energy: -9.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -49.529189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.529189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.529189 (E_RNA) where: Base-Base interactions energy: -21.585 where: short stacking energy: -17.771 Base-Backbone interact. energy: -0.401 local terms energy: -27.543025 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -52.455609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.455609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.455609 (E_RNA) where: Base-Base interactions energy: -19.660 where: short stacking energy: -19.660 Base-Backbone interact. energy: -0.039 local terms energy: -32.756191 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -52.803572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.803572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.803572 (E_RNA) where: Base-Base interactions energy: -24.460 where: short stacking energy: -22.283 Base-Backbone interact. energy: -0.031 local terms energy: -28.312370 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -5.908 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -1.502 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: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -38.624824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.624824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.624824 (E_RNA) where: Base-Base interactions energy: -11.890 where: short stacking energy: -11.890 Base-Backbone interact. energy: -0.188 local terms energy: -26.547082 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.101 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -4.065 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: 10, replica: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -43.674594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.674594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.674594 (E_RNA) where: Base-Base interactions energy: -19.474 where: short stacking energy: -19.474 Base-Backbone interact. energy: -0.096 local terms energy: -24.104410 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -67.673962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.673962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.673962 (E_RNA) where: Base-Base interactions energy: -32.549 where: short stacking energy: -32.549 Base-Backbone interact. energy: -0.004 local terms energy: -35.120331 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -8.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -61.648957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.648957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.648957 (E_RNA) where: Base-Base interactions energy: -32.159 where: short stacking energy: -25.160 Base-Backbone interact. energy: -0.109 local terms energy: -29.381456 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -2.572 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: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -55.002305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.002305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.002305 (E_RNA) where: Base-Base interactions energy: -22.249 where: short stacking energy: -22.249 Base-Backbone interact. energy: -0.082 local terms energy: -32.672088 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -49.131604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.131604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.131604 (E_RNA) where: Base-Base interactions energy: -17.602 where: short stacking energy: -17.602 Base-Backbone interact. energy: -0.112 local terms energy: -31.417379 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -6.368 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: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -45.697967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.697967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.697967 (E_RNA) where: Base-Base interactions energy: -19.082 where: short stacking energy: -13.562 Base-Backbone interact. energy: -0.027 local terms energy: -26.588962 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -4.456 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: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -47.533677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.533677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.533677 (E_RNA) where: Base-Base interactions energy: -20.530 where: short stacking energy: -20.530 Base-Backbone interact. energy: -0.103 local terms energy: -26.900695 where: bonds (distance) C4'-P energy: -6.234 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -1.506 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: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -49.527172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.527172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.527172 (E_RNA) where: Base-Base interactions energy: -20.512 where: short stacking energy: -20.512 Base-Backbone interact. energy: -0.000 local terms energy: -29.015125 where: bonds (distance) C4'-P energy: -2.653 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -7.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -41.927655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.927655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.927655 (E_RNA) where: Base-Base interactions energy: -14.757 where: short stacking energy: -14.757 Base-Backbone interact. energy: -0.000 local terms energy: -27.170122 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -3.571 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.955 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: 9, replica: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -48.876224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.876224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.876224 (E_RNA) where: Base-Base interactions energy: -21.901 where: short stacking energy: -14.510 Base-Backbone interact. energy: -0.172 local terms energy: -26.803499 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -43.918777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.918777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.918777 (E_RNA) where: Base-Base interactions energy: -13.043 where: short stacking energy: -13.043 Base-Backbone interact. energy: -0.031 local terms energy: -30.844430 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -67.299807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.299807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.299807 (E_RNA) where: Base-Base interactions energy: -25.829 where: short stacking energy: -25.829 Base-Backbone interact. energy: -0.046 local terms energy: -41.424972 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -8.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -62.612275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.612275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.612275 (E_RNA) where: Base-Base interactions energy: -25.440 where: short stacking energy: -25.440 Base-Backbone interact. energy: -0.000 local terms energy: -37.172443 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -8.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -55.945726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.945726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.945726 (E_RNA) where: Base-Base interactions energy: -24.351 where: short stacking energy: -24.351 Base-Backbone interact. energy: -0.000 local terms energy: -31.594844 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -3.149 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: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -61.396688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.396688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.396688 (E_RNA) where: Base-Base interactions energy: -27.789 where: short stacking energy: -25.194 Base-Backbone interact. energy: -0.050 local terms energy: -33.558280 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.733 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: 5, replica: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -51.128747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.128747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.128747 (E_RNA) where: Base-Base interactions energy: -26.427 where: short stacking energy: -17.354 Base-Backbone interact. energy: 0.758 local terms energy: -25.459605 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -62.020426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.020426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.020426 (E_RNA) where: Base-Base interactions energy: -35.290 where: short stacking energy: -24.869 Base-Backbone interact. energy: -0.006 local terms energy: -26.724297 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -3.507 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: 7, replica: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -41.949399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.949399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.949399 (E_RNA) where: Base-Base interactions energy: -17.183 where: short stacking energy: -15.306 Base-Backbone interact. energy: 0.108 local terms energy: -24.874461 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -54.088357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.088357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.088357 (E_RNA) where: Base-Base interactions energy: -27.681 where: short stacking energy: -19.915 Base-Backbone interact. energy: -0.031 local terms energy: -26.376075 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -44.711856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.711856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.711856 (E_RNA) where: Base-Base interactions energy: -17.988 where: short stacking energy: -17.988 Base-Backbone interact. energy: -0.092 local terms energy: -26.632392 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -44.262142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.262142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.262142 (E_RNA) where: Base-Base interactions energy: -17.192 where: short stacking energy: -17.192 Base-Backbone interact. energy: -0.005 local terms energy: -27.064621 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -9.073 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -65.981430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.981430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.981430 (E_RNA) where: Base-Base interactions energy: -35.339 where: short stacking energy: -17.415 Base-Backbone interact. energy: -0.070 local terms energy: -30.572020 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -5.530 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: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -59.585249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.585249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.585249 (E_RNA) where: Base-Base interactions energy: -29.840 where: short stacking energy: -23.788 Base-Backbone interact. energy: 1.187 local terms energy: -30.932121 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.160 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: 3, replica: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -59.086959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.086959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.086959 (E_RNA) where: Base-Base interactions energy: -25.793 where: short stacking energy: -25.793 Base-Backbone interact. energy: -0.001 local terms energy: -33.293362 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -6.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -68.863311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.863311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.863311 (E_RNA) where: Base-Base interactions energy: -41.174 where: short stacking energy: -22.225 Base-Backbone interact. energy: -0.009 local terms energy: -27.680562 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -56.727245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.727245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.727245 (E_RNA) where: Base-Base interactions energy: -26.647 where: short stacking energy: -26.647 Base-Backbone interact. energy: -0.001 local terms energy: -30.079389 where: bonds (distance) C4'-P energy: -4.604 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -9.384 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -53.147356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.147356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.147356 (E_RNA) where: Base-Base interactions energy: -21.727 where: short stacking energy: -14.916 Base-Backbone interact. energy: -0.000 local terms energy: -31.419743 where: bonds (distance) C4'-P energy: -4.294 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -48.803781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.803781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.803781 (E_RNA) where: Base-Base interactions energy: -22.671 where: short stacking energy: -22.671 Base-Backbone interact. energy: 0.217 local terms energy: -26.349796 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -4.955 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -43.155886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.155886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.155886 (E_RNA) where: Base-Base interactions energy: -16.948 where: short stacking energy: -13.357 Base-Backbone interact. energy: -0.088 local terms energy: -26.119685 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: 0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -42.560239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.560239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.560239 (E_RNA) where: Base-Base interactions energy: -16.640 where: short stacking energy: -16.640 Base-Backbone interact. energy: -0.050 local terms energy: -25.869911 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.846 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -4.071 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: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -44.567774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.567774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.567774 (E_RNA) where: Base-Base interactions energy: -16.985 where: short stacking energy: -16.422 Base-Backbone interact. energy: 0.121 local terms energy: -27.703255 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -74.778313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.778313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.778313 (E_RNA) where: Base-Base interactions energy: -32.742 where: short stacking energy: -32.742 Base-Backbone interact. energy: -0.000 local terms energy: -42.036047 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -9.083 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -10.319 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: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -54.571342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.571342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.571342 (E_RNA) where: Base-Base interactions energy: -25.254 where: short stacking energy: -22.432 Base-Backbone interact. energy: -0.014 local terms energy: -29.303947 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -58.795716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.795716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.795716 (E_RNA) where: Base-Base interactions energy: -21.737 where: short stacking energy: -21.737 Base-Backbone interact. energy: -0.558 local terms energy: -36.500777 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -7.285 tors. eta vs tors. theta energy: -4.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -58.758652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.758652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.758652 (E_RNA) where: Base-Base interactions energy: -27.362 where: short stacking energy: -27.362 Base-Backbone interact. energy: -0.000 local terms energy: -31.396554 where: bonds (distance) C4'-P energy: -4.514 bonds (distance) P-C4' energy: -7.284 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -51.597381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.597381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.597381 (E_RNA) where: Base-Base interactions energy: -19.957 where: short stacking energy: -19.957 Base-Backbone interact. energy: -0.034 local terms energy: -31.606775 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -1.058 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: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -49.926881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.926881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.926881 (E_RNA) where: Base-Base interactions energy: -17.814 where: short stacking energy: -17.814 Base-Backbone interact. energy: -0.045 local terms energy: -32.067710 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -54.702231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.702231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.702231 (E_RNA) where: Base-Base interactions energy: -23.258 where: short stacking energy: -23.258 Base-Backbone interact. energy: -0.000 local terms energy: -31.443696 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -6.193 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -5.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -43.790578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.790578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.790578 (E_RNA) where: Base-Base interactions energy: -13.205 where: short stacking energy: -13.205 Base-Backbone interact. energy: -0.007 local terms energy: -30.578526 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -5.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -44.394716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.394716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.394716 (E_RNA) where: Base-Base interactions energy: -15.393 where: short stacking energy: -15.393 Base-Backbone interact. energy: -0.067 local terms energy: -28.934976 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -5.794 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: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -47.323191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.323191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.323191 (E_RNA) where: Base-Base interactions energy: -16.232 where: short stacking energy: -16.232 Base-Backbone interact. energy: -0.002 local terms energy: -31.089616 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -72.619054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.619054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.619054 (E_RNA) where: Base-Base interactions energy: -33.721 where: short stacking energy: -33.721 Base-Backbone interact. energy: -0.000 local terms energy: -38.898222 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -9.287 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: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -62.366356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.366356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.366356 (E_RNA) where: Base-Base interactions energy: -25.247 where: short stacking energy: -25.247 Base-Backbone interact. energy: -0.052 local terms energy: -37.067985 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -6.934 tors. eta vs tors. theta energy: -5.603 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: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -53.975748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.975748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.975748 (E_RNA) where: Base-Base interactions energy: -22.301 where: short stacking energy: -18.373 Base-Backbone interact. energy: -0.014 local terms energy: -31.661471 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -52.409802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.409802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.409802 (E_RNA) where: Base-Base interactions energy: -20.890 where: short stacking energy: -17.667 Base-Backbone interact. energy: -0.031 local terms energy: -31.488152 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -4.169 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: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -56.146013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.146013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.146013 (E_RNA) where: Base-Base interactions energy: -23.535 where: short stacking energy: -20.764 Base-Backbone interact. energy: -0.000 local terms energy: -32.611372 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.157 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -52.328295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.328295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.328295 (E_RNA) where: Base-Base interactions energy: -20.962 where: short stacking energy: -20.962 Base-Backbone interact. energy: -0.007 local terms energy: -31.359148 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -48.320544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.320544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.320544 (E_RNA) where: Base-Base interactions energy: -15.595 where: short stacking energy: -15.595 Base-Backbone interact. energy: -0.000 local terms energy: -32.725471 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -6.170 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: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -42.702974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.702974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.702974 (E_RNA) where: Base-Base interactions energy: -16.212 where: short stacking energy: -16.142 Base-Backbone interact. energy: 0.212 local terms energy: -26.702965 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -45.467030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.467030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.467030 (E_RNA) where: Base-Base interactions energy: -14.303 where: short stacking energy: -14.303 Base-Backbone interact. energy: -0.001 local terms energy: -31.163163 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -44.046310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.046310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.046310 (E_RNA) where: Base-Base interactions energy: -17.092 where: short stacking energy: -17.092 Base-Backbone interact. energy: -0.005 local terms energy: -26.949400 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -2.700 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: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -65.411296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.411296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.411296 (E_RNA) where: Base-Base interactions energy: -32.316 where: short stacking energy: -26.328 Base-Backbone interact. energy: -0.000 local terms energy: -33.095025 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -8.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -60.960800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.960800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.960800 (E_RNA) where: Base-Base interactions energy: -28.208 where: short stacking energy: -28.153 Base-Backbone interact. energy: -0.000 local terms energy: -32.752057 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -51.763146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.763146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.763146 (E_RNA) where: Base-Base interactions energy: -17.952 where: short stacking energy: -17.952 Base-Backbone interact. energy: -0.071 local terms energy: -33.739784 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -6.561 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -55.712927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.712927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.712927 (E_RNA) where: Base-Base interactions energy: -25.022 where: short stacking energy: -25.022 Base-Backbone interact. energy: 0.389 local terms energy: -31.080042 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -51.831788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.831788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.831788 (E_RNA) where: Base-Base interactions energy: -21.548 where: short stacking energy: -18.532 Base-Backbone interact. energy: -0.092 local terms energy: -30.192706 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -5.893 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -5.915 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: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -44.806112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.806112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.806112 (E_RNA) where: Base-Base interactions energy: -19.460 where: short stacking energy: -12.598 Base-Backbone interact. energy: -0.001 local terms energy: -25.344859 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: 0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -51.326187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.326187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.326187 (E_RNA) where: Base-Base interactions energy: -22.679 where: short stacking energy: -18.440 Base-Backbone interact. energy: -0.082 local terms energy: -28.565339 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -44.748345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.748345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.748345 (E_RNA) where: Base-Base interactions energy: -15.145 where: short stacking energy: -15.145 Base-Backbone interact. energy: -0.022 local terms energy: -29.581422 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -50.981959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.981959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.981959 (E_RNA) where: Base-Base interactions energy: -18.049 where: short stacking energy: -18.049 Base-Backbone interact. energy: -0.004 local terms energy: -32.929614 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -4.209 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: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -42.341968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.341968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.341968 (E_RNA) where: Base-Base interactions energy: -17.244 where: short stacking energy: -17.244 Base-Backbone interact. energy: -0.101 local terms energy: -24.997118 where: bonds (distance) C4'-P energy: -3.886 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -73.670423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.670423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.670423 (E_RNA) where: Base-Base interactions energy: -38.949 where: short stacking energy: -28.878 Base-Backbone interact. energy: -0.000 local terms energy: -34.720784 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -8.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -71.204138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.204138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.204138 (E_RNA) where: Base-Base interactions energy: -40.469 where: short stacking energy: -23.014 Base-Backbone interact. energy: -0.012 local terms energy: -30.723272 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -2.825 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: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -60.420585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.420585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.420585 (E_RNA) where: Base-Base interactions energy: -27.872 where: short stacking energy: -27.872 Base-Backbone interact. energy: -0.000 local terms energy: -32.548200 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -5.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -57.858585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.858585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.858585 (E_RNA) where: Base-Base interactions energy: -21.656 where: short stacking energy: -21.656 Base-Backbone interact. energy: -0.003 local terms energy: -36.199383 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -5.909 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: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -68.267184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.267184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.267184 (E_RNA) where: Base-Base interactions energy: -33.290 where: short stacking energy: -18.886 Base-Backbone interact. energy: -0.032 local terms energy: -34.945216 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -46.162179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.162179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.162179 (E_RNA) where: Base-Base interactions energy: -14.573 where: short stacking energy: -14.573 Base-Backbone interact. energy: -0.006 local terms energy: -31.583034 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -5.520 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: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -49.508504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.508504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.508504 (E_RNA) where: Base-Base interactions energy: -22.584 where: short stacking energy: -13.313 Base-Backbone interact. energy: -0.020 local terms energy: -26.904508 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -6.383 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: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -44.868756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.868756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.868756 (E_RNA) where: Base-Base interactions energy: -16.253 where: short stacking energy: -16.253 Base-Backbone interact. energy: -0.000 local terms energy: -28.615273 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -5.320 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: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -49.368312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.368312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.368312 (E_RNA) where: Base-Base interactions energy: -18.393 where: short stacking energy: -18.393 Base-Backbone interact. energy: -0.000 local terms energy: -30.975240 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -4.900 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: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -42.318572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.318572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.318572 (E_RNA) where: Base-Base interactions energy: -12.105 where: short stacking energy: -12.105 Base-Backbone interact. energy: -0.001 local terms energy: -30.212596 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -4.493 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -2.445 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: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -64.820925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.820925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.820925 (E_RNA) where: Base-Base interactions energy: -31.067 where: short stacking energy: -26.443 Base-Backbone interact. energy: -0.000 local terms energy: -33.753564 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -6.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -55.120889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.120889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.120889 (E_RNA) where: Base-Base interactions energy: -23.738 where: short stacking energy: -23.738 Base-Backbone interact. energy: -0.000 local terms energy: -31.382958 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -52.946695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.946695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.946695 (E_RNA) where: Base-Base interactions energy: -19.635 where: short stacking energy: -19.635 Base-Backbone interact. energy: -0.015 local terms energy: -33.296179 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -59.490451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.490451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.490451 (E_RNA) where: Base-Base interactions energy: -27.087 where: short stacking energy: -26.101 Base-Backbone interact. energy: -0.000 local terms energy: -32.403022 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -7.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -55.604896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.604896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.604896 (E_RNA) where: Base-Base interactions energy: -25.230 where: short stacking energy: -25.230 Base-Backbone interact. energy: -0.014 local terms energy: -30.361614 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -4.595 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: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -51.453328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.453328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.453328 (E_RNA) where: Base-Base interactions energy: -20.337 where: short stacking energy: -20.337 Base-Backbone interact. energy: -0.018 local terms energy: -31.098480 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -4.359 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: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -48.388565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.388565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.388565 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -21.578 Base-Backbone interact. energy: -0.002 local terms energy: -26.782191 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -3.919 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: 8, replica: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -46.856506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.856506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.856506 (E_RNA) where: Base-Base interactions energy: -20.417 where: short stacking energy: -20.417 Base-Backbone interact. energy: -0.007 local terms energy: -26.432020 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -5.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -46.615334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.615334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.615334 (E_RNA) where: Base-Base interactions energy: -18.190 where: short stacking energy: -18.190 Base-Backbone interact. energy: -0.044 local terms energy: -28.381034 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -2.052 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: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -38.511331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.511331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.511331 (E_RNA) where: Base-Base interactions energy: -14.922 where: short stacking energy: -14.922 Base-Backbone interact. energy: -0.035 local terms energy: -23.554696 where: bonds (distance) C4'-P energy: -4.021 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -0.897 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -78.387026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.387026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.387026 (E_RNA) where: Base-Base interactions energy: -41.937 where: short stacking energy: -26.696 Base-Backbone interact. energy: -0.001 local terms energy: -36.449139 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -7.271 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: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -60.844074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.844074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.844074 (E_RNA) where: Base-Base interactions energy: -23.234 where: short stacking energy: -23.234 Base-Backbone interact. energy: -0.031 local terms energy: -37.579731 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -6.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -56.654668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.654668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.654668 (E_RNA) where: Base-Base interactions energy: -22.192 where: short stacking energy: -21.975 Base-Backbone interact. energy: -0.003 local terms energy: -34.459456 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -1.824 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -48.779994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.779994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.779994 (E_RNA) where: Base-Base interactions energy: -19.463 where: short stacking energy: -19.463 Base-Backbone interact. energy: -0.073 local terms energy: -29.244530 where: bonds (distance) C4'-P energy: -7.722 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -52.997115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.997115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.997115 (E_RNA) where: Base-Base interactions energy: -20.789 where: short stacking energy: -15.168 Base-Backbone interact. energy: -0.012 local terms energy: -32.196256 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -5.618 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -4.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -42.282765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.282765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.282765 (E_RNA) where: Base-Base interactions energy: -8.616 where: short stacking energy: -8.616 Base-Backbone interact. energy: -0.068 local terms energy: -33.598181 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -5.897 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: 7, replica: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -46.531897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.531897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.531897 (E_RNA) where: Base-Base interactions energy: -14.059 where: short stacking energy: -8.869 Base-Backbone interact. energy: -0.136 local terms energy: -32.336474 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.051 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -5.294 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: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -52.919578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.919578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.919578 (E_RNA) where: Base-Base interactions energy: -18.161 where: short stacking energy: -18.161 Base-Backbone interact. energy: -0.100 local terms energy: -34.658027 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -6.197 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: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -42.205486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.205486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.205486 (E_RNA) where: Base-Base interactions energy: -11.837 where: short stacking energy: -11.837 Base-Backbone interact. energy: -0.007 local terms energy: -30.362047 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -43.250176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.250176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.250176 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.863 local terms energy: -28.391344 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -62.086418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086418 (E_RNA) where: Base-Base interactions energy: -27.316 where: short stacking energy: -24.491 Base-Backbone interact. energy: -0.033 local terms energy: -34.736635 where: bonds (distance) C4'-P energy: -7.654 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -5.180 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: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -80.049776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.049776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.049776 (E_RNA) where: Base-Base interactions energy: -47.739 where: short stacking energy: -29.488 Base-Backbone interact. energy: -0.000 local terms energy: -32.310247 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -4.127 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: 3, replica: 9 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -64.322413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.322413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.322413 (E_RNA) where: Base-Base interactions energy: -25.574 where: short stacking energy: -25.574 Base-Backbone interact. energy: -0.000 local terms energy: -38.748493 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -9.073 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -55.449529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.449529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.449529 (E_RNA) where: Base-Base interactions energy: -23.642 where: short stacking energy: -23.642 Base-Backbone interact. energy: 0.166 local terms energy: -31.973187 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -4.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -61.622540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.622540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.622540 (E_RNA) where: Base-Base interactions energy: -30.075 where: short stacking energy: -29.378 Base-Backbone interact. energy: -0.000 local terms energy: -31.547139 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -49.617294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.617294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.617294 (E_RNA) where: Base-Base interactions energy: -17.943 where: short stacking energy: -17.943 Base-Backbone interact. energy: -0.011 local terms energy: -31.663353 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -4.052 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: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -48.598026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.598026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.598026 (E_RNA) where: Base-Base interactions energy: -16.759 where: short stacking energy: -16.759 Base-Backbone interact. energy: -0.096 local terms energy: -31.743269 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -5.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -43.213153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.213153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.213153 (E_RNA) where: Base-Base interactions energy: -15.654 where: short stacking energy: -15.654 Base-Backbone interact. energy: 0.083 local terms energy: -27.642893 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -4.309 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: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -49.251965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.251965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.251965 (E_RNA) where: Base-Base interactions energy: -21.020 where: short stacking energy: -15.931 Base-Backbone interact. energy: -0.170 local terms energy: -28.061446 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -4.093 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -5.134 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: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -40.884380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.884380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.884380 (E_RNA) where: Base-Base interactions energy: -15.719 where: short stacking energy: -5.458 Base-Backbone interact. energy: 0.710 local terms energy: -25.875481 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -1.681 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: 1, replica: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -59.597451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.597451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.597451 (E_RNA) where: Base-Base interactions energy: -22.466 where: short stacking energy: -22.466 Base-Backbone interact. energy: -0.024 local terms energy: -37.107997 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -4.365 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: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -78.633987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.633987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.633987 (E_RNA) where: Base-Base interactions energy: -41.743 where: short stacking energy: -28.039 Base-Backbone interact. energy: -0.002 local terms energy: -36.889855 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -6.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -58.073028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.073028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.073028 (E_RNA) where: Base-Base interactions energy: -28.336 where: short stacking energy: -20.719 Base-Backbone interact. energy: -0.015 local terms energy: -29.722002 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -58.182237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.182237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.182237 (E_RNA) where: Base-Base interactions energy: -26.043 where: short stacking energy: -26.043 Base-Backbone interact. energy: -0.037 local terms energy: -32.102240 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -9.380 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -5.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -51.313425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.313425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.313425 (E_RNA) where: Base-Base interactions energy: -19.083 where: short stacking energy: -16.103 Base-Backbone interact. energy: -0.009 local terms energy: -32.221883 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.514 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -52.018965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.018965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.018965 (E_RNA) where: Base-Base interactions energy: -18.460 where: short stacking energy: -18.673 Base-Backbone interact. energy: -0.004 local terms energy: -33.555175 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -43.384367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.384367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.384367 (E_RNA) where: Base-Base interactions energy: -13.403 where: short stacking energy: -10.139 Base-Backbone interact. energy: -0.115 local terms energy: -29.866809 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -6.424 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: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -50.851407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.851407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.851407 (E_RNA) where: Base-Base interactions energy: -19.978 where: short stacking energy: -16.746 Base-Backbone interact. energy: -0.001 local terms energy: -30.872742 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -43.845926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.845926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.845926 (E_RNA) where: Base-Base interactions energy: -15.274 where: short stacking energy: -15.274 Base-Backbone interact. energy: -0.077 local terms energy: -28.494424 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -9.149 flat angles P-C4'-P energy: -2.921 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: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -52.312921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.312921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.312921 (E_RNA) where: Base-Base interactions energy: -19.832 where: short stacking energy: -19.832 Base-Backbone interact. energy: -0.000 local terms energy: -32.481115 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -1.144 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: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -79.619948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.619948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.619948 (E_RNA) where: Base-Base interactions energy: -42.580 where: short stacking energy: -28.685 Base-Backbone interact. energy: -0.059 local terms energy: -36.981202 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.845 flat angles P-C4'-P energy: -6.909 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: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -64.098087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.098087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.098087 (E_RNA) where: Base-Base interactions energy: -34.490 where: short stacking energy: -34.490 Base-Backbone interact. energy: -0.009 local terms energy: -29.598821 where: bonds (distance) C4'-P energy: -5.429 bonds (distance) P-C4' energy: -4.190 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -7.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -66.958709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.958709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.958709 (E_RNA) where: Base-Base interactions energy: -35.322 where: short stacking energy: -22.685 Base-Backbone interact. energy: -0.001 local terms energy: -31.636039 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -5.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -55.022406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.022406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.022406 (E_RNA) where: Base-Base interactions energy: -25.536 where: short stacking energy: -25.031 Base-Backbone interact. energy: -0.001 local terms energy: -29.486123 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -3.198 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: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -62.080837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.080837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.080837 (E_RNA) where: Base-Base interactions energy: -27.646 where: short stacking energy: -27.646 Base-Backbone interact. energy: 0.313 local terms energy: -34.747624 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.060 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -7.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -60.367493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.367493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.367493 (E_RNA) where: Base-Base interactions energy: -25.385 where: short stacking energy: -25.385 Base-Backbone interact. energy: -0.000 local terms energy: -34.982130 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -42.763037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.763037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.763037 (E_RNA) where: Base-Base interactions energy: -15.973 where: short stacking energy: -15.973 Base-Backbone interact. energy: -0.105 local terms energy: -26.684724 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.607 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -43.384653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.384653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.384653 (E_RNA) where: Base-Base interactions energy: -11.574 where: short stacking energy: -11.574 Base-Backbone interact. energy: -0.249 local terms energy: -31.560966 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -9.016 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: 0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -43.030833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.030833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.030833 (E_RNA) where: Base-Base interactions energy: -17.558 where: short stacking energy: -15.170 Base-Backbone interact. energy: -0.000 local terms energy: -25.472203 where: bonds (distance) C4'-P energy: -2.902 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -5.335 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: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -38.839486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.839486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.839486 (E_RNA) where: Base-Base interactions energy: -18.275 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.037 local terms energy: -20.528166 where: bonds (distance) C4'-P energy: -0.819 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -2.778 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: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -76.842231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.842231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.842231 (E_RNA) where: Base-Base interactions energy: -42.488 where: short stacking energy: -30.634 Base-Backbone interact. energy: -0.054 local terms energy: -34.300535 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -65.275378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.275378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.275378 (E_RNA) where: Base-Base interactions energy: -28.062 where: short stacking energy: -28.062 Base-Backbone interact. energy: -0.008 local terms energy: -37.205141 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -6.560 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: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -60.907716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.907716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.907716 (E_RNA) where: Base-Base interactions energy: -24.976 where: short stacking energy: -24.976 Base-Backbone interact. energy: -0.000 local terms energy: -35.931956 where: bonds (distance) C4'-P energy: -6.233 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -5.423 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: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -53.546453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.546453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.546453 (E_RNA) where: Base-Base interactions energy: -19.701 where: short stacking energy: -18.006 Base-Backbone interact. energy: -0.001 local terms energy: -33.844685 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -6.346 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: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -65.599006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.599006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.599006 (E_RNA) where: Base-Base interactions energy: -28.751 where: short stacking energy: -28.751 Base-Backbone interact. energy: -0.000 local terms energy: -36.847857 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -6.262 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: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -58.324434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.324434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.324434 (E_RNA) where: Base-Base interactions energy: -27.233 where: short stacking energy: -27.233 Base-Backbone interact. energy: -0.010 local terms energy: -31.081818 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -3.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -45.711426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.711426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.711426 (E_RNA) where: Base-Base interactions energy: -16.102 where: short stacking energy: -16.102 Base-Backbone interact. energy: -0.033 local terms energy: -29.575781 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -42.138678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.138678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.138678 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -5.455 Base-Backbone interact. energy: 0.060 local terms energy: -20.208562 where: bonds (distance) C4'-P energy: -4.594 bonds (distance) P-C4' energy: -6.596 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: 2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -45.920097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.920097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.920097 (E_RNA) where: Base-Base interactions energy: -21.165 where: short stacking energy: -17.958 Base-Backbone interact. energy: -0.001 local terms energy: -24.753225 where: bonds (distance) C4'-P energy: -3.763 bonds (distance) P-C4' energy: -6.289 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -6.978 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: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -39.259167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.259167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.259167 (E_RNA) where: Base-Base interactions energy: -16.188 where: short stacking energy: -16.188 Base-Backbone interact. energy: -0.141 local terms energy: -22.929771 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -1.641 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -63.736407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.736407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.736407 (E_RNA) where: Base-Base interactions energy: -28.775 where: short stacking energy: -28.775 Base-Backbone interact. energy: -0.000 local terms energy: -34.961399 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -64.412142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.412142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.412142 (E_RNA) where: Base-Base interactions energy: -33.970 where: short stacking energy: -27.854 Base-Backbone interact. energy: -0.028 local terms energy: -30.414647 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -4.558 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: 3, replica: 9 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -62.955618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.955618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.955618 (E_RNA) where: Base-Base interactions energy: -28.450 where: short stacking energy: -28.450 Base-Backbone interact. energy: -0.011 local terms energy: -34.494149 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -6.373 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: 4, replica: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -48.479702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.479702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.479702 (E_RNA) where: Base-Base interactions energy: -23.332 where: short stacking energy: -23.332 Base-Backbone interact. energy: -0.001 local terms energy: -25.145959 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.836 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -1.390 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -59.266454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.266454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.266454 (E_RNA) where: Base-Base interactions energy: -24.470 where: short stacking energy: -24.570 Base-Backbone interact. energy: -0.100 local terms energy: -34.696575 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -8.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -56.077474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.077474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.077474 (E_RNA) where: Base-Base interactions energy: -26.574 where: short stacking energy: -16.757 Base-Backbone interact. energy: -0.084 local terms energy: -29.419286 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -2.150 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: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -41.403798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.403798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.403798 (E_RNA) where: Base-Base interactions energy: -15.249 where: short stacking energy: -15.249 Base-Backbone interact. energy: 0.130 local terms energy: -26.284186 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -1.631 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: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -41.054666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.054666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.054666 (E_RNA) where: Base-Base interactions energy: -14.673 where: short stacking energy: -10.599 Base-Backbone interact. energy: -0.036 local terms energy: -26.345579 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -5.628 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: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -42.563947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.563947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.563947 (E_RNA) where: Base-Base interactions energy: -15.065 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.017 local terms energy: -27.481533 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.356 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: 10, replica: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -37.833912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.833912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.833912 (E_RNA) where: Base-Base interactions energy: -14.809 where: short stacking energy: -14.806 Base-Backbone interact. energy: -0.159 local terms energy: -22.865130 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -2.537 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -75.891255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.891255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.891255 (E_RNA) where: Base-Base interactions energy: -39.664 where: short stacking energy: -21.637 Base-Backbone interact. energy: -0.112 local terms energy: -36.114702 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -6.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -68.206423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.206423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.206423 (E_RNA) where: Base-Base interactions energy: -31.904 where: short stacking energy: -20.319 Base-Backbone interact. energy: 0.021 local terms energy: -36.323177 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -60.080421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.080421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.080421 (E_RNA) where: Base-Base interactions energy: -26.666 where: short stacking energy: -26.666 Base-Backbone interact. energy: -0.001 local terms energy: -33.414222 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -52.110405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.110405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.110405 (E_RNA) where: Base-Base interactions energy: -23.966 where: short stacking energy: -13.938 Base-Backbone interact. energy: -0.011 local terms energy: -28.133294 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.521 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: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -55.683997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.683997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.683997 (E_RNA) where: Base-Base interactions energy: -24.114 where: short stacking energy: -23.462 Base-Backbone interact. energy: -0.102 local terms energy: -31.468574 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -5.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -55.532548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.532548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.532548 (E_RNA) where: Base-Base interactions energy: -21.499 where: short stacking energy: -21.499 Base-Backbone interact. energy: -0.001 local terms energy: -34.032357 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -53.786358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.786358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.786358 (E_RNA) where: Base-Base interactions energy: -22.286 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.001 local terms energy: -31.499453 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -5.458 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: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -50.004462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.004462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.004462 (E_RNA) where: Base-Base interactions energy: -20.867 where: short stacking energy: -20.867 Base-Backbone interact. energy: -0.003 local terms energy: -29.133804 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -3.424 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: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -43.442988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.442988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.442988 (E_RNA) where: Base-Base interactions energy: -13.228 where: short stacking energy: -13.228 Base-Backbone interact. energy: -0.019 local terms energy: -30.195684 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -41.298805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.298805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.298805 (E_RNA) where: Base-Base interactions energy: -15.775 where: short stacking energy: -11.661 Base-Backbone interact. energy: -0.003 local terms energy: -25.521244 where: bonds (distance) C4'-P energy: -5.577 bonds (distance) P-C4' energy: -7.339 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -4.495 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: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -68.086600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.086600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.086600 (E_RNA) where: Base-Base interactions energy: -31.180 where: short stacking energy: -22.529 Base-Backbone interact. energy: -0.703 local terms energy: -36.203717 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -7.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -69.546670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.546670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.546670 (E_RNA) where: Base-Base interactions energy: -31.816 where: short stacking energy: -28.787 Base-Backbone interact. energy: -0.000 local terms energy: -37.730169 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -6.230 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: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -59.906466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.906466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.906466 (E_RNA) where: Base-Base interactions energy: -25.789 where: short stacking energy: -25.570 Base-Backbone interact. energy: -0.000 local terms energy: -34.117919 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -49.982207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.982207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.982207 (E_RNA) where: Base-Base interactions energy: -21.652 where: short stacking energy: -19.638 Base-Backbone interact. energy: -0.003 local terms energy: -28.327206 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: -2.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -50.077585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.077585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.077585 (E_RNA) where: Base-Base interactions energy: -19.056 where: short stacking energy: -18.462 Base-Backbone interact. energy: -0.430 local terms energy: -30.591327 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.407 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: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -57.308387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.308387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.308387 (E_RNA) where: Base-Base interactions energy: -31.540 where: short stacking energy: -27.271 Base-Backbone interact. energy: -0.001 local terms energy: -25.767364 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: 1.649 tors. eta vs tors. theta energy: -6.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -52.038363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.038363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.038363 (E_RNA) where: Base-Base interactions energy: -23.336 where: short stacking energy: -21.333 Base-Backbone interact. energy: -0.682 local terms energy: -28.020883 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -5.676 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -3.250 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: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -47.824072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.824072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.824072 (E_RNA) where: Base-Base interactions energy: -20.343 where: short stacking energy: -20.343 Base-Backbone interact. energy: -0.021 local terms energy: -27.459441 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -50.886470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.886470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.886470 (E_RNA) where: Base-Base interactions energy: -22.753 where: short stacking energy: -11.803 Base-Backbone interact. energy: -0.009 local terms energy: -28.124049 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -5.456 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: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -53.590913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.590913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.590913 (E_RNA) where: Base-Base interactions energy: -22.435 where: short stacking energy: -16.750 Base-Backbone interact. energy: -0.104 local terms energy: -31.052229 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -63.214579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.214579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.214579 (E_RNA) where: Base-Base interactions energy: -33.882 where: short stacking energy: -23.284 Base-Backbone interact. energy: -0.250 local terms energy: -29.082632 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -63.485992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.485992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.485992 (E_RNA) where: Base-Base interactions energy: -28.008 where: short stacking energy: -28.008 Base-Backbone interact. energy: -0.009 local terms energy: -35.469154 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -6.566 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: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -61.284444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.284444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.284444 (E_RNA) where: Base-Base interactions energy: -26.797 where: short stacking energy: -26.797 Base-Backbone interact. energy: -0.000 local terms energy: -34.487278 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -4.594 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: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -56.142547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.142547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.142547 (E_RNA) where: Base-Base interactions energy: -23.491 where: short stacking energy: -23.491 Base-Backbone interact. energy: -0.068 local terms energy: -32.583560 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -5.674 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: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -52.559791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.559791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.559791 (E_RNA) where: Base-Base interactions energy: -18.719 where: short stacking energy: -18.404 Base-Backbone interact. energy: -0.779 local terms energy: -33.062213 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -54.043651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.043651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.043651 (E_RNA) where: Base-Base interactions energy: -28.315 where: short stacking energy: -20.720 Base-Backbone interact. energy: -0.001 local terms energy: -25.727822 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -3.079 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: 10 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -46.634626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.634626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.634626 (E_RNA) where: Base-Base interactions energy: -16.907 where: short stacking energy: -16.907 Base-Backbone interact. energy: -0.013 local terms energy: -29.714463 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -49.422923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.422923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.422923 (E_RNA) where: Base-Base interactions energy: -17.849 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.090 local terms energy: -31.483895 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -5.507 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: 9, replica: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -44.377415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.377415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.377415 (E_RNA) where: Base-Base interactions energy: -16.080 where: short stacking energy: -16.080 Base-Backbone interact. energy: -0.061 local terms energy: -28.236102 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -41.465283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.465283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.465283 (E_RNA) where: Base-Base interactions energy: -21.608 where: short stacking energy: -21.608 Base-Backbone interact. energy: -0.000 local terms energy: -19.856620 where: bonds (distance) C4'-P energy: -4.736 bonds (distance) P-C4' energy: -1.681 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -55.152097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.152097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.152097 (E_RNA) where: Base-Base interactions energy: -26.669 where: short stacking energy: -13.938 Base-Backbone interact. energy: -0.175 local terms energy: -28.308565 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -58.284281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.284281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.284281 (E_RNA) where: Base-Base interactions energy: -22.505 where: short stacking energy: -22.505 Base-Backbone interact. energy: -0.000 local terms energy: -35.778857 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -6.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -58.294044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.294044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.294044 (E_RNA) where: Base-Base interactions energy: -22.303 where: short stacking energy: -17.497 Base-Backbone interact. energy: -0.768 local terms energy: -35.223178 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -51.705715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.705715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.705715 (E_RNA) where: Base-Base interactions energy: -20.650 where: short stacking energy: -20.526 Base-Backbone interact. energy: -0.006 local terms energy: -31.050158 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -50.031625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.031625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.031625 (E_RNA) where: Base-Base interactions energy: -20.422 where: short stacking energy: -20.422 Base-Backbone interact. energy: -0.032 local terms energy: -29.578217 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -6.189 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: 6, replica: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -48.681999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.681999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.681999 (E_RNA) where: Base-Base interactions energy: -19.236 where: short stacking energy: -12.487 Base-Backbone interact. energy: -0.528 local terms energy: -28.917598 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -3.405 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: 7, replica: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -57.734414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.734414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.734414 (E_RNA) where: Base-Base interactions energy: -26.377 where: short stacking energy: -21.008 Base-Backbone interact. energy: -0.291 local terms energy: -31.066490 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -43.673882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.673882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.673882 (E_RNA) where: Base-Base interactions energy: -14.002 where: short stacking energy: -14.002 Base-Backbone interact. energy: -0.002 local terms energy: -29.670193 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -58.930662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.930662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.930662 (E_RNA) where: Base-Base interactions energy: -30.744 where: short stacking energy: -16.246 Base-Backbone interact. energy: 0.328 local terms energy: -28.514228 where: bonds (distance) C4'-P energy: -2.644 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -51.749059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.749059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.749059 (E_RNA) where: Base-Base interactions energy: -19.039 where: short stacking energy: -19.039 Base-Backbone interact. energy: -0.019 local terms energy: -32.691728 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -68.616555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.616555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.616555 (E_RNA) where: Base-Base interactions energy: -32.820 where: short stacking energy: -31.450 Base-Backbone interact. energy: -0.000 local terms energy: -35.796166 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -7.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -67.366532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.366532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.366532 (E_RNA) where: Base-Base interactions energy: -33.946 where: short stacking energy: -30.416 Base-Backbone interact. energy: -0.000 local terms energy: -33.420285 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -1.485 tors. eta vs tors. theta energy: -6.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -59.755897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.755897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.755897 (E_RNA) where: Base-Base interactions energy: -25.951 where: short stacking energy: -25.951 Base-Backbone interact. energy: -0.000 local terms energy: -33.804281 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.670 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: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -51.414632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.414632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.414632 (E_RNA) where: Base-Base interactions energy: -19.166 where: short stacking energy: -16.843 Base-Backbone interact. energy: -0.018 local terms energy: -32.230815 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.820 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: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -58.229135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.229135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.229135 (E_RNA) where: Base-Base interactions energy: -25.170 where: short stacking energy: -25.170 Base-Backbone interact. energy: -0.000 local terms energy: -33.059234 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -6.797 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -6.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -55.698256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.698256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.698256 (E_RNA) where: Base-Base interactions energy: -24.414 where: short stacking energy: -24.414 Base-Backbone interact. energy: -0.000 local terms energy: -31.283968 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -4.594 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -6.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -46.784673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.784673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.784673 (E_RNA) where: Base-Base interactions energy: -18.080 where: short stacking energy: -18.080 Base-Backbone interact. energy: -0.101 local terms energy: -28.603770 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -45.296670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.296670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.296670 (E_RNA) where: Base-Base interactions energy: -13.350 where: short stacking energy: -13.350 Base-Backbone interact. energy: -0.000 local terms energy: -31.946512 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -48.094000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.094000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.094000 (E_RNA) where: Base-Base interactions energy: -17.506 where: short stacking energy: -17.506 Base-Backbone interact. energy: -0.054 local terms energy: -30.533664 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -3.459 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: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -60.717997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.717997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.717997 (E_RNA) where: Base-Base interactions energy: -36.165 where: short stacking energy: -23.187 Base-Backbone interact. energy: -0.000 local terms energy: -24.553045 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -2.235 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -76.122317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.122317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.122317 (E_RNA) where: Base-Base interactions energy: -39.634 where: short stacking energy: -30.184 Base-Backbone interact. energy: -0.061 local terms energy: -36.426943 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -8.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -63.389465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.389465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.389465 (E_RNA) where: Base-Base interactions energy: -27.216 where: short stacking energy: -27.216 Base-Backbone interact. energy: -0.001 local terms energy: -36.171867 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -6.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -57.873189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.873189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.873189 (E_RNA) where: Base-Base interactions energy: -25.305 where: short stacking energy: -25.305 Base-Backbone interact. energy: -0.002 local terms energy: -32.566050 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -5.997 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -56.733202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.733202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.733202 (E_RNA) where: Base-Base interactions energy: -24.080 where: short stacking energy: -24.080 Base-Backbone interact. energy: -0.000 local terms energy: -32.652945 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -6.181 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: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -58.389312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.389312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.389312 (E_RNA) where: Base-Base interactions energy: -24.907 where: short stacking energy: -19.984 Base-Backbone interact. energy: -0.890 local terms energy: -32.591919 where: bonds (distance) C4'-P energy: -6.694 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -9.096 flat angles P-C4'-P energy: -6.014 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: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -55.601087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.601087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.601087 (E_RNA) where: Base-Base interactions energy: -25.194 where: short stacking energy: -24.924 Base-Backbone interact. energy: -0.003 local terms energy: -30.404411 where: bonds (distance) C4'-P energy: -3.540 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -6.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -50.905940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.905940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.905940 (E_RNA) where: Base-Base interactions energy: -21.617 where: short stacking energy: -21.617 Base-Backbone interact. energy: -0.012 local terms energy: -29.277335 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -45.350925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.350925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.350925 (E_RNA) where: Base-Base interactions energy: -17.120 where: short stacking energy: -17.120 Base-Backbone interact. energy: -0.013 local terms energy: -28.217476 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -5.498 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: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -42.291794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.291794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.291794 (E_RNA) where: Base-Base interactions energy: -15.777 where: short stacking energy: -15.877 Base-Backbone interact. energy: -0.215 local terms energy: -26.299708 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -42.901600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.901600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.901600 (E_RNA) where: Base-Base interactions energy: -13.850 where: short stacking energy: -9.189 Base-Backbone interact. energy: -0.027 local terms energy: -29.024134 where: bonds (distance) C4'-P energy: -3.726 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -75.163890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.163890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.163890 (E_RNA) where: Base-Base interactions energy: -36.304 where: short stacking energy: -32.101 Base-Backbone interact. energy: -0.001 local terms energy: -38.858615 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -10.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -53.881714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.881714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.881714 (E_RNA) where: Base-Base interactions energy: -22.668 where: short stacking energy: -20.151 Base-Backbone interact. energy: -0.008 local terms energy: -31.205812 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -63.328128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.328128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.328128 (E_RNA) where: Base-Base interactions energy: -26.678 where: short stacking energy: -26.678 Base-Backbone interact. energy: -0.001 local terms energy: -36.648977 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.338 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: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -56.509836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.509836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.509836 (E_RNA) where: Base-Base interactions energy: -20.673 where: short stacking energy: -20.673 Base-Backbone interact. energy: -0.000 local terms energy: -35.836323 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -55.715972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.715972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.715972 (E_RNA) where: Base-Base interactions energy: -24.833 where: short stacking energy: -15.763 Base-Backbone interact. energy: 0.515 local terms energy: -31.397333 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -48.510957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.510957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.510957 (E_RNA) where: Base-Base interactions energy: -19.728 where: short stacking energy: -19.728 Base-Backbone interact. energy: -0.013 local terms energy: -28.770786 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -48.545395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.545395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.545395 (E_RNA) where: Base-Base interactions energy: -20.506 where: short stacking energy: -16.115 Base-Backbone interact. energy: -0.002 local terms energy: -28.037454 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -1.111 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -43.618802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.618802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.618802 (E_RNA) where: Base-Base interactions energy: -15.830 where: short stacking energy: -12.945 Base-Backbone interact. energy: -0.046 local terms energy: -27.743204 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -49.396532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.396532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.396532 (E_RNA) where: Base-Base interactions energy: -18.076 where: short stacking energy: -18.076 Base-Backbone interact. energy: -0.002 local terms energy: -31.318913 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -38.740776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.740776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.740776 (E_RNA) where: Base-Base interactions energy: -16.410 where: short stacking energy: -10.976 Base-Backbone interact. energy: -0.002 local terms energy: -22.329063 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -69.148607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.148607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.148607 (E_RNA) where: Base-Base interactions energy: -33.727 where: short stacking energy: -20.798 Base-Backbone interact. energy: -0.059 local terms energy: -35.362799 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -6.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -72.546632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.546632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.546632 (E_RNA) where: Base-Base interactions energy: -31.128 where: short stacking energy: -31.128 Base-Backbone interact. energy: -0.000 local terms energy: -41.418676 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.267 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -9.776 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: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -60.321306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.321306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.321306 (E_RNA) where: Base-Base interactions energy: -24.057 where: short stacking energy: -24.057 Base-Backbone interact. energy: -0.002 local terms energy: -36.262700 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -49.685006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.685006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.685006 (E_RNA) where: Base-Base interactions energy: -19.974 where: short stacking energy: -19.974 Base-Backbone interact. energy: -0.029 local terms energy: -29.681839 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -8.247 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -5.889 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: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -62.515750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.515750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.515750 (E_RNA) where: Base-Base interactions energy: -30.825 where: short stacking energy: -18.662 Base-Backbone interact. energy: -0.112 local terms energy: -31.578143 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -2.030 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: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -44.169971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.169971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.169971 (E_RNA) where: Base-Base interactions energy: -16.971 where: short stacking energy: -16.521 Base-Backbone interact. energy: -0.103 local terms energy: -27.095648 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -50.756695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.756695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.756695 (E_RNA) where: Base-Base interactions energy: -21.450 where: short stacking energy: -18.119 Base-Backbone interact. energy: -0.895 local terms energy: -28.412263 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -49.101648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.101648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.101648 (E_RNA) where: Base-Base interactions energy: -21.674 where: short stacking energy: -10.437 Base-Backbone interact. energy: -0.032 local terms energy: -27.395245 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.433 flat angles P-C4'-P energy: -1.883 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -42.050795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.050795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.050795 (E_RNA) where: Base-Base interactions energy: -12.417 where: short stacking energy: -11.125 Base-Backbone interact. energy: -0.082 local terms energy: -29.552057 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -2.716 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -39.197480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.197480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.197480 (E_RNA) where: Base-Base interactions energy: -13.545 where: short stacking energy: -13.545 Base-Backbone interact. energy: -0.002 local terms energy: -25.651083 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: 1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -81.282173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.282173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.282173 (E_RNA) where: Base-Base interactions energy: -44.134 where: short stacking energy: -27.074 Base-Backbone interact. energy: -0.000 local terms energy: -37.147795 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -6.247 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: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -61.957824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.957824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.957824 (E_RNA) where: Base-Base interactions energy: -25.886 where: short stacking energy: -25.886 Base-Backbone interact. energy: -0.000 local terms energy: -36.071337 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -7.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -61.904331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.904331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.904331 (E_RNA) where: Base-Base interactions energy: -27.582 where: short stacking energy: -27.376 Base-Backbone interact. energy: -0.000 local terms energy: -34.321753 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -4.365 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: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -55.743330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.743330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.743330 (E_RNA) where: Base-Base interactions energy: -24.799 where: short stacking energy: -23.956 Base-Backbone interact. energy: -0.019 local terms energy: -30.924805 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -55.447157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.447157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.447157 (E_RNA) where: Base-Base interactions energy: -23.558 where: short stacking energy: -23.558 Base-Backbone interact. energy: -0.000 local terms energy: -31.888938 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -47.685708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.685708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.685708 (E_RNA) where: Base-Base interactions energy: -17.184 where: short stacking energy: -17.184 Base-Backbone interact. energy: -0.005 local terms energy: -30.496704 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -51.982321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.982321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.982321 (E_RNA) where: Base-Base interactions energy: -20.282 where: short stacking energy: -20.282 Base-Backbone interact. energy: -0.008 local terms energy: -31.692380 where: bonds (distance) C4'-P energy: -6.234 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -43.944982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.944982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.944982 (E_RNA) where: Base-Base interactions energy: -15.333 where: short stacking energy: -8.464 Base-Backbone interact. energy: 0.313 local terms energy: -28.925334 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -43.887343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.887343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.887343 (E_RNA) where: Base-Base interactions energy: -15.264 where: short stacking energy: -15.264 Base-Backbone interact. energy: -0.033 local terms energy: -28.590509 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -3.726 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: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -40.481704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.481704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.481704 (E_RNA) where: Base-Base interactions energy: -17.258 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.110 local terms energy: -23.114466 where: bonds (distance) C4'-P energy: -3.563 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -4.638 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: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -80.170289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.170289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.170289 (E_RNA) where: Base-Base interactions energy: -46.442 where: short stacking energy: -24.969 Base-Backbone interact. energy: -0.047 local terms energy: -33.681324 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -62.896920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.896920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.896920 (E_RNA) where: Base-Base interactions energy: -26.058 where: short stacking energy: -26.058 Base-Backbone interact. energy: -0.001 local terms energy: -36.838367 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -7.690 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: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -60.143587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.143587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.143587 (E_RNA) where: Base-Base interactions energy: -24.762 where: short stacking energy: -18.162 Base-Backbone interact. energy: -0.000 local terms energy: -35.381252 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -4.895 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: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -60.375846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.375846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.375846 (E_RNA) where: Base-Base interactions energy: -27.009 where: short stacking energy: -21.570 Base-Backbone interact. energy: -0.001 local terms energy: -33.365873 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -4.921 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: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -55.477125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.477125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.477125 (E_RNA) where: Base-Base interactions energy: -24.490 where: short stacking energy: -24.490 Base-Backbone interact. energy: -0.054 local terms energy: -30.934000 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -8.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -54.509725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.509725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.509725 (E_RNA) where: Base-Base interactions energy: -23.235 where: short stacking energy: -23.235 Base-Backbone interact. energy: -0.295 local terms energy: -30.979776 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -49.053858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.053858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.053858 (E_RNA) where: Base-Base interactions energy: -18.367 where: short stacking energy: -18.367 Base-Backbone interact. energy: -0.000 local terms energy: -30.686989 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -54.002479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.002479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.002479 (E_RNA) where: Base-Base interactions energy: -20.468 where: short stacking energy: -20.468 Base-Backbone interact. energy: -0.003 local terms energy: -33.531304 where: bonds (distance) C4'-P energy: -6.817 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -6.129 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: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -53.272492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.272492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.272492 (E_RNA) where: Base-Base interactions energy: -21.717 where: short stacking energy: -21.717 Base-Backbone interact. energy: -1.167 local terms energy: -30.388093 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -53.560499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.560499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.560499 (E_RNA) where: Base-Base interactions energy: -22.345 where: short stacking energy: -22.345 Base-Backbone interact. energy: -0.000 local terms energy: -31.215368 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -77.915411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.915411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.915411 (E_RNA) where: Base-Base interactions energy: -41.944 where: short stacking energy: -30.132 Base-Backbone interact. energy: -0.004 local terms energy: -35.966757 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -6.163 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: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -65.964763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.964763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.964763 (E_RNA) where: Base-Base interactions energy: -28.932 where: short stacking energy: -28.932 Base-Backbone interact. energy: -0.000 local terms energy: -37.032538 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -8.384 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: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -68.149478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.149478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.149478 (E_RNA) where: Base-Base interactions energy: -31.114 where: short stacking energy: -21.702 Base-Backbone interact. energy: -0.000 local terms energy: -37.035303 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -7.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -58.165233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.165233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.165233 (E_RNA) where: Base-Base interactions energy: -28.641 where: short stacking energy: -23.809 Base-Backbone interact. energy: -1.340 local terms energy: -28.184391 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -5.627 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: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -52.311658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.311658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.311658 (E_RNA) where: Base-Base interactions energy: -19.676 where: short stacking energy: -19.676 Base-Backbone interact. energy: -0.008 local terms energy: -32.628355 where: bonds (distance) C4'-P energy: -3.497 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -6.543 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: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -53.143068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.143068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.143068 (E_RNA) where: Base-Base interactions energy: -23.504 where: short stacking energy: -23.504 Base-Backbone interact. energy: -0.005 local terms energy: -29.634004 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -6.031 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -45.152224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.152224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.152224 (E_RNA) where: Base-Base interactions energy: -17.576 where: short stacking energy: -17.576 Base-Backbone interact. energy: -0.043 local terms energy: -27.533149 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.317 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -0.813 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -44.368864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.368864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.368864 (E_RNA) where: Base-Base interactions energy: -15.756 where: short stacking energy: -15.756 Base-Backbone interact. energy: -0.000 local terms energy: -28.612174 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -1.834 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: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -38.800009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.800009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.800009 (E_RNA) where: Base-Base interactions energy: -12.055 where: short stacking energy: -12.055 Base-Backbone interact. energy: -0.126 local terms energy: -26.619726 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -4.343 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: 10, replica: 2 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -43.381819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.381819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.381819 (E_RNA) where: Base-Base interactions energy: -14.568 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.030 local terms energy: -28.783884 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -4.884 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: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -60.172161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.172161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.172161 (E_RNA) where: Base-Base interactions energy: -22.696 where: short stacking energy: -21.529 Base-Backbone interact. energy: -0.007 local terms energy: -37.469748 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -64.666816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.666816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.666816 (E_RNA) where: Base-Base interactions energy: -33.083 where: short stacking energy: -17.997 Base-Backbone interact. energy: -0.317 local terms energy: -31.265986 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -59.546606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.546606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.546606 (E_RNA) where: Base-Base interactions energy: -25.642 where: short stacking energy: -25.642 Base-Backbone interact. energy: -0.000 local terms energy: -33.904808 where: bonds (distance) C4'-P energy: -5.779 bonds (distance) P-C4' energy: -8.001 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -57.739218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.739218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.739218 (E_RNA) where: Base-Base interactions energy: -29.149 where: short stacking energy: -21.966 Base-Backbone interact. energy: -0.000 local terms energy: -28.590270 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -4.960 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: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -58.087885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.087885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.087885 (E_RNA) where: Base-Base interactions energy: -24.738 where: short stacking energy: -24.413 Base-Backbone interact. energy: -0.000 local terms energy: -33.349469 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -4.412 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: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -47.649169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.649169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.649169 (E_RNA) where: Base-Base interactions energy: -18.673 where: short stacking energy: -18.538 Base-Backbone interact. energy: -0.014 local terms energy: -28.962438 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -4.816 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: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -52.969914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.969914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.969914 (E_RNA) where: Base-Base interactions energy: -26.763 where: short stacking energy: -17.034 Base-Backbone interact. energy: -0.092 local terms energy: -26.115738 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -0.341 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -46.800637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.800637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.800637 (E_RNA) where: Base-Base interactions energy: -18.050 where: short stacking energy: -15.353 Base-Backbone interact. energy: -0.173 local terms energy: -28.577894 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -7.528 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -47.311406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.311406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.311406 (E_RNA) where: Base-Base interactions energy: -18.335 where: short stacking energy: -18.335 Base-Backbone interact. energy: -0.096 local terms energy: -28.879808 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -4.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -40.443931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.443931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.443931 (E_RNA) where: Base-Base interactions energy: -17.849 where: short stacking energy: -13.197 Base-Backbone interact. energy: 0.134 local terms energy: -22.728840 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.154 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -62.844284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.844284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.844284 (E_RNA) where: Base-Base interactions energy: -25.747 where: short stacking energy: -25.747 Base-Backbone interact. energy: -0.078 local terms energy: -37.018951 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -69.245227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.245227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.245227 (E_RNA) where: Base-Base interactions energy: -35.105 where: short stacking energy: -25.288 Base-Backbone interact. energy: -0.000 local terms energy: -34.140579 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -68.909667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.909667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.909667 (E_RNA) where: Base-Base interactions energy: -33.277 where: short stacking energy: -18.584 Base-Backbone interact. energy: -0.094 local terms energy: -35.539001 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -58.992084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.992084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.992084 (E_RNA) where: Base-Base interactions energy: -23.369 where: short stacking energy: -23.369 Base-Backbone interact. energy: -0.013 local terms energy: -35.609938 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -7.165 flat angles P-C4'-P energy: -6.821 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: 5, replica: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -51.079947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.079947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.079947 (E_RNA) where: Base-Base interactions energy: -21.967 where: short stacking energy: -21.967 Base-Backbone interact. energy: -0.062 local terms energy: -29.051112 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -47.698289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.698289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.698289 (E_RNA) where: Base-Base interactions energy: -16.183 where: short stacking energy: -16.183 Base-Backbone interact. energy: -0.000 local terms energy: -31.515188 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.327 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: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -49.642189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.642189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.642189 (E_RNA) where: Base-Base interactions energy: -22.189 where: short stacking energy: -18.786 Base-Backbone interact. energy: 0.362 local terms energy: -27.814880 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -4.953 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -46.249594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.249594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.249594 (E_RNA) where: Base-Base interactions energy: -19.366 where: short stacking energy: -19.366 Base-Backbone interact. energy: -0.102 local terms energy: -26.781605 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -40.489468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.489468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.489468 (E_RNA) where: Base-Base interactions energy: -14.765 where: short stacking energy: -9.916 Base-Backbone interact. energy: -0.094 local terms energy: -25.630338 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: 0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -53.907109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.907109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.907109 (E_RNA) where: Base-Base interactions energy: -22.182 where: short stacking energy: -21.911 Base-Backbone interact. energy: -0.024 local terms energy: -31.701152 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -7.302 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -65.870158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.870158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.870158 (E_RNA) where: Base-Base interactions energy: -29.872 where: short stacking energy: -28.715 Base-Backbone interact. energy: -0.005 local terms energy: -35.993729 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -63.257520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.257520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.257520 (E_RNA) where: Base-Base interactions energy: -30.697 where: short stacking energy: -26.379 Base-Backbone interact. energy: -0.001 local terms energy: -32.559319 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -72.454765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.454765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.454765 (E_RNA) where: Base-Base interactions energy: -33.223 where: short stacking energy: -29.623 Base-Backbone interact. energy: -0.000 local terms energy: -39.232058 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.232 flat angles P-C4'-P energy: -5.707 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: 4, replica: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -65.678115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.678115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.678115 (E_RNA) where: Base-Base interactions energy: -33.044 where: short stacking energy: -33.044 Base-Backbone interact. energy: -0.026 local terms energy: -32.607673 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -7.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -56.851955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.851955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.851955 (E_RNA) where: Base-Base interactions energy: -22.640 where: short stacking energy: -22.640 Base-Backbone interact. energy: -0.000 local terms energy: -34.211849 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.704 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: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -50.182210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.182210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.182210 (E_RNA) where: Base-Base interactions energy: -20.078 where: short stacking energy: -20.078 Base-Backbone interact. energy: -0.024 local terms energy: -30.080381 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -5.855 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -46.003864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.003864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.003864 (E_RNA) where: Base-Base interactions energy: -16.416 where: short stacking energy: -16.416 Base-Backbone interact. energy: -0.001 local terms energy: -29.586520 where: bonds (distance) C4'-P energy: -4.190 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -43.084179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.084179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.084179 (E_RNA) where: Base-Base interactions energy: -19.006 where: short stacking energy: -14.301 Base-Backbone interact. energy: -0.193 local terms energy: -23.885299 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.031 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -49.401218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.401218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.401218 (E_RNA) where: Base-Base interactions energy: -19.708 where: short stacking energy: -19.708 Base-Backbone interact. energy: -0.000 local terms energy: -29.693444 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -43.964469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.964469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.964469 (E_RNA) where: Base-Base interactions energy: -13.895 where: short stacking energy: -13.895 Base-Backbone interact. energy: -0.000 local terms energy: -30.069289 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -3.696 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: 1, replica: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -74.642002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.642002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.642002 (E_RNA) where: Base-Base interactions energy: -34.291 where: short stacking energy: -34.291 Base-Backbone interact. energy: -0.002 local terms energy: -40.348572 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -9.536 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: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -77.255385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.255385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.255385 (E_RNA) where: Base-Base interactions energy: -45.531 where: short stacking energy: -30.048 Base-Backbone interact. energy: -0.001 local terms energy: -31.722946 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -5.067 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: 3, replica: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -55.959546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.959546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.959546 (E_RNA) where: Base-Base interactions energy: -18.487 where: short stacking energy: -17.259 Base-Backbone interact. energy: -0.001 local terms energy: -37.470764 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -59.771607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.771607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.771607 (E_RNA) where: Base-Base interactions energy: -27.091 where: short stacking energy: -27.091 Base-Backbone interact. energy: -0.002 local terms energy: -32.677976 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -6.970 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: 5, replica: 7 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -55.447729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.447729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.447729 (E_RNA) where: Base-Base interactions energy: -29.580 where: short stacking energy: -14.398 Base-Backbone interact. energy: -0.411 local terms energy: -25.456381 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -1.495 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -38.765435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.765435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.765435 (E_RNA) where: Base-Base interactions energy: -13.826 where: short stacking energy: -13.826 Base-Backbone interact. energy: -0.219 local terms energy: -24.720390 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: 2.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -48.922529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.922529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.922529 (E_RNA) where: Base-Base interactions energy: -24.459 where: short stacking energy: -22.464 Base-Backbone interact. energy: -0.000 local terms energy: -24.463165 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -3.209 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: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -46.675907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.675907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.675907 (E_RNA) where: Base-Base interactions energy: -17.999 where: short stacking energy: -14.351 Base-Backbone interact. energy: -0.223 local terms energy: -28.453619 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -40.065869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.065869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.065869 (E_RNA) where: Base-Base interactions energy: -12.497 where: short stacking energy: -12.497 Base-Backbone interact. energy: -0.021 local terms energy: -27.548693 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -0.181 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: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -39.858284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.858284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.858284 (E_RNA) where: Base-Base interactions energy: -13.733 where: short stacking energy: -13.733 Base-Backbone interact. energy: 1.218 local terms energy: -27.342963 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -79.726435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.726435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.726435 (E_RNA) where: Base-Base interactions energy: -45.908 where: short stacking energy: -27.530 Base-Backbone interact. energy: -0.000 local terms energy: -33.817958 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -2.697 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: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -60.092957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.092957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.092957 (E_RNA) where: Base-Base interactions energy: -23.806 where: short stacking energy: -23.806 Base-Backbone interact. energy: -0.000 local terms energy: -36.287280 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -6.196 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: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -56.338822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.338822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.338822 (E_RNA) where: Base-Base interactions energy: -22.169 where: short stacking energy: -22.169 Base-Backbone interact. energy: -0.025 local terms energy: -34.144008 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -7.248 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: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -52.062174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.062174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.062174 (E_RNA) where: Base-Base interactions energy: -17.910 where: short stacking energy: -17.910 Base-Backbone interact. energy: -0.088 local terms energy: -34.064647 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.070 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -50.674801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.674801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.674801 (E_RNA) where: Base-Base interactions energy: -21.777 where: short stacking energy: -21.654 Base-Backbone interact. energy: 1.441 local terms energy: -30.338503 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -42.736381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.736381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.736381 (E_RNA) where: Base-Base interactions energy: -13.106 where: short stacking energy: -13.106 Base-Backbone interact. energy: -0.066 local terms energy: -29.564008 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -44.861348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.861348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.861348 (E_RNA) where: Base-Base interactions energy: -14.492 where: short stacking energy: -14.492 Base-Backbone interact. energy: -0.002 local terms energy: -30.367625 where: bonds (distance) C4'-P energy: -5.824 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -48.490873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.490873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.490873 (E_RNA) where: Base-Base interactions energy: -26.124 where: short stacking energy: -15.634 Base-Backbone interact. energy: -0.029 local terms energy: -22.337713 where: bonds (distance) C4'-P energy: -3.602 bonds (distance) P-C4' energy: -4.014 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -6.242 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: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -47.854474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.854474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.854474 (E_RNA) where: Base-Base interactions energy: -15.737 where: short stacking energy: -15.737 Base-Backbone interact. energy: -0.134 local terms energy: -31.983079 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -46.343267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.343267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.343267 (E_RNA) where: Base-Base interactions energy: -18.123 where: short stacking energy: -15.531 Base-Backbone interact. energy: 1.306 local terms energy: -29.525536 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -6.923 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -4.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -79.642606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.642606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.642606 (E_RNA) where: Base-Base interactions energy: -43.563 where: short stacking energy: -18.719 Base-Backbone interact. energy: -0.637 local terms energy: -35.442392 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -6.308 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: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -63.456230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.456230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.456230 (E_RNA) where: Base-Base interactions energy: -25.857 where: short stacking energy: -25.857 Base-Backbone interact. energy: -0.002 local terms energy: -37.597512 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -53.927746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.927746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.927746 (E_RNA) where: Base-Base interactions energy: -26.440 where: short stacking energy: -20.631 Base-Backbone interact. energy: 0.038 local terms energy: -27.525600 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -3.366 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: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -51.919978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.919978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.919978 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.004 local terms energy: -31.421824 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -56.476029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.476029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.476029 (E_RNA) where: Base-Base interactions energy: -24.354 where: short stacking energy: -24.354 Base-Backbone interact. energy: -0.100 local terms energy: -32.021802 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -4.148 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: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -48.465102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.465102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.465102 (E_RNA) where: Base-Base interactions energy: -20.196 where: short stacking energy: -20.196 Base-Backbone interact. energy: -0.121 local terms energy: -28.148873 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -52.038242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.038242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.038242 (E_RNA) where: Base-Base interactions energy: -21.730 where: short stacking energy: -21.730 Base-Backbone interact. energy: -0.211 local terms energy: -30.097104 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -53.137824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.137824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.137824 (E_RNA) where: Base-Base interactions energy: -21.175 where: short stacking energy: -21.175 Base-Backbone interact. energy: -0.000 local terms energy: -31.962696 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -4.294 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: 9, replica: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -46.308182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.308182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.308182 (E_RNA) where: Base-Base interactions energy: -19.261 where: short stacking energy: -18.683 Base-Backbone interact. energy: -0.103 local terms energy: -26.944747 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -2.599 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -37.381476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.381476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.381476 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -13.608 Base-Backbone interact. energy: -0.040 local terms energy: -23.733607 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: 1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -84.986997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.986997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.986997 (E_RNA) where: Base-Base interactions energy: -50.929 where: short stacking energy: -24.041 Base-Backbone interact. energy: -0.595 local terms energy: -33.462705 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -7.073 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -7.068 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: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -60.859612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.859612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.859612 (E_RNA) where: Base-Base interactions energy: -26.664 where: short stacking energy: -26.664 Base-Backbone interact. energy: -0.001 local terms energy: -34.194828 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -6.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -65.684912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.684912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.684912 (E_RNA) where: Base-Base interactions energy: -35.088 where: short stacking energy: -22.383 Base-Backbone interact. energy: -0.088 local terms energy: -30.508461 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -3.796 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -6.163 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: 4, replica: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -51.016839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.016839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.016839 (E_RNA) where: Base-Base interactions energy: -18.518 where: short stacking energy: -18.518 Base-Backbone interact. energy: -0.101 local terms energy: -32.397615 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -6.162 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -53.779586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.779586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.779586 (E_RNA) where: Base-Base interactions energy: -27.436 where: short stacking energy: -27.436 Base-Backbone interact. energy: -0.021 local terms energy: -26.321882 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -4.229 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: 126 Temperature: 1.150000 Total energy: -45.114941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.114941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.114941 (E_RNA) where: Base-Base interactions energy: -19.453 where: short stacking energy: -19.453 Base-Backbone interact. energy: -0.122 local terms energy: -25.540550 where: bonds (distance) C4'-P energy: -5.324 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -44.419419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.419419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.419419 (E_RNA) where: Base-Base interactions energy: -17.376 where: short stacking energy: -13.198 Base-Backbone interact. energy: -0.097 local terms energy: -26.947238 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.007 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: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -51.733368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.733368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.733368 (E_RNA) where: Base-Base interactions energy: -22.046 where: short stacking energy: -22.046 Base-Backbone interact. energy: -0.065 local terms energy: -29.621771 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -6.091 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: 9, replica: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -42.935421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.935421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.935421 (E_RNA) where: Base-Base interactions energy: -17.584 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.022 local terms energy: -25.329340 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -3.414 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: 1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -39.188911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.188911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.188911 (E_RNA) where: Base-Base interactions energy: -11.868 where: short stacking energy: -11.868 Base-Backbone interact. energy: 0.318 local terms energy: -27.638708 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -77.722231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.722231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.722231 (E_RNA) where: Base-Base interactions energy: -41.741 where: short stacking energy: -26.938 Base-Backbone interact. energy: -0.021 local terms energy: -35.959680 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -6.647 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: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -58.626083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.626083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.626083 (E_RNA) where: Base-Base interactions energy: -21.093 where: short stacking energy: -21.093 Base-Backbone interact. energy: -0.000 local terms energy: -37.533081 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -59.164495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.164495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.164495 (E_RNA) where: Base-Base interactions energy: -27.014 where: short stacking energy: -27.014 Base-Backbone interact. energy: -0.003 local terms energy: -32.147680 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -4.981 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -8.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -57.873743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.873743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.873743 (E_RNA) where: Base-Base interactions energy: -25.966 where: short stacking energy: -25.966 Base-Backbone interact. energy: -0.013 local terms energy: -31.894080 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -60.074191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.074191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.074191 (E_RNA) where: Base-Base interactions energy: -22.715 where: short stacking energy: -21.663 Base-Backbone interact. energy: -0.001 local terms energy: -37.358563 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -9.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -47.520982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.520982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.520982 (E_RNA) where: Base-Base interactions energy: -17.680 where: short stacking energy: -11.817 Base-Backbone interact. energy: -0.242 local terms energy: -29.598795 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -6.744 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -49.799581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.799581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.799581 (E_RNA) where: Base-Base interactions energy: -19.643 where: short stacking energy: -19.643 Base-Backbone interact. energy: -0.043 local terms energy: -30.113131 where: bonds (distance) C4'-P energy: -4.488 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -60.447692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.447692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.447692 (E_RNA) where: Base-Base interactions energy: -30.566 where: short stacking energy: -26.403 Base-Backbone interact. energy: -0.000 local terms energy: -29.881512 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -5.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -42.184964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.184964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.184964 (E_RNA) where: Base-Base interactions energy: -12.910 where: short stacking energy: -12.910 Base-Backbone interact. energy: -0.042 local terms energy: -29.232950 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -6.360 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: 10, replica: 3 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -38.806746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.806746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.806746 (E_RNA) where: Base-Base interactions energy: -15.359 where: short stacking energy: -15.359 Base-Backbone interact. energy: -0.121 local terms energy: -23.327133 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -0.140 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -73.808347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.808347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.808347 (E_RNA) where: Base-Base interactions energy: -31.640 where: short stacking energy: -31.640 Base-Backbone interact. energy: -0.000 local terms energy: -42.168261 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -9.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -72.596901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.596901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.596901 (E_RNA) where: Base-Base interactions energy: -40.972 where: short stacking energy: -10.394 Base-Backbone interact. energy: -0.277 local terms energy: -31.347906 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -0.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -58.374062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.374062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.374062 (E_RNA) where: Base-Base interactions energy: -27.790 where: short stacking energy: -26.737 Base-Backbone interact. energy: -0.001 local terms energy: -30.582472 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -5.170 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: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -51.800641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.800641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.800641 (E_RNA) where: Base-Base interactions energy: -19.736 where: short stacking energy: -19.736 Base-Backbone interact. energy: -0.002 local terms energy: -32.062052 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -59.788131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.788131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.788131 (E_RNA) where: Base-Base interactions energy: -28.029 where: short stacking energy: -22.909 Base-Backbone interact. energy: -0.568 local terms energy: -31.190537 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -7.754 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -48.329625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.329625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.329625 (E_RNA) where: Base-Base interactions energy: -16.187 where: short stacking energy: -16.187 Base-Backbone interact. energy: -0.000 local terms energy: -32.142693 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -60.439925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.439925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.439925 (E_RNA) where: Base-Base interactions energy: -38.167 where: short stacking energy: -20.742 Base-Backbone interact. energy: -0.002 local terms energy: -22.270787 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -1.292 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -48.735575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.735575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.735575 (E_RNA) where: Base-Base interactions energy: -14.112 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.207 local terms energy: -34.416464 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -5.277 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: 128 Temperature: 1.300000 Total energy: -48.396033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.396033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.396033 (E_RNA) where: Base-Base interactions energy: -17.393 where: short stacking energy: -17.393 Base-Backbone interact. energy: -0.049 local terms energy: -30.953942 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -7.224 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: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -42.826731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.826731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.826731 (E_RNA) where: Base-Base interactions energy: -15.293 where: short stacking energy: -15.293 Base-Backbone interact. energy: -0.019 local terms energy: -27.514814 where: bonds (distance) C4'-P energy: -7.605 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: 0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -62.198911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.198911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.198911 (E_RNA) where: Base-Base interactions energy: -28.913 where: short stacking energy: -28.913 Base-Backbone interact. energy: -0.000 local terms energy: -33.286073 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -66.147978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.147978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.147978 (E_RNA) where: Base-Base interactions energy: -35.523 where: short stacking energy: -20.376 Base-Backbone interact. energy: -0.101 local terms energy: -30.523804 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -63.995037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.995037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.995037 (E_RNA) where: Base-Base interactions energy: -27.979 where: short stacking energy: -26.975 Base-Backbone interact. energy: -0.000 local terms energy: -36.015966 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -55.070811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.070811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.070811 (E_RNA) where: Base-Base interactions energy: -21.913 where: short stacking energy: -21.913 Base-Backbone interact. energy: -0.005 local terms energy: -33.152131 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -4.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -55.851468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.851468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.851468 (E_RNA) where: Base-Base interactions energy: -21.688 where: short stacking energy: -21.688 Base-Backbone interact. energy: -0.000 local terms energy: -34.162817 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -2.869 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: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -41.548539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.548539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.548539 (E_RNA) where: Base-Base interactions energy: -13.915 where: short stacking energy: -13.582 Base-Backbone interact. energy: -0.825 local terms energy: -26.808529 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: 0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -53.098073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.098073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.098073 (E_RNA) where: Base-Base interactions energy: -22.415 where: short stacking energy: -22.415 Base-Backbone interact. energy: -0.544 local terms energy: -30.138129 where: bonds (distance) C4'-P energy: -4.082 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -4.566 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: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -45.860212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.860212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.860212 (E_RNA) where: Base-Base interactions energy: -21.036 where: short stacking energy: -12.513 Base-Backbone interact. energy: -0.049 local terms energy: -24.774780 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -3.397 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: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -46.736388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.736388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.736388 (E_RNA) where: Base-Base interactions energy: -18.609 where: short stacking energy: -18.609 Base-Backbone interact. energy: -0.002 local terms energy: -28.125547 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -3.370 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: 10, replica: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -42.562618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.562618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.562618 (E_RNA) where: Base-Base interactions energy: -18.133 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.629 local terms energy: -23.800475 where: bonds (distance) C4'-P energy: -5.270 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -73.741534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.741534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.741534 (E_RNA) where: Base-Base interactions energy: -35.360 where: short stacking energy: -30.628 Base-Backbone interact. energy: -0.000 local terms energy: -38.382009 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -9.178 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -8.182 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: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -52.336270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.336270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.336270 (E_RNA) where: Base-Base interactions energy: -26.775 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.627 local terms energy: -24.933889 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: 1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -63.701906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.701906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.701906 (E_RNA) where: Base-Base interactions energy: -32.607 where: short stacking energy: -32.607 Base-Backbone interact. energy: -0.000 local terms energy: -31.094621 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -0.980 tors. eta vs tors. theta energy: -8.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -62.499449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.499449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.499449 (E_RNA) where: Base-Base interactions energy: -23.974 where: short stacking energy: -23.214 Base-Backbone interact. energy: -0.037 local terms energy: -38.488889 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -6.144 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: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -57.801009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.801009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.801009 (E_RNA) where: Base-Base interactions energy: -24.816 where: short stacking energy: -24.562 Base-Backbone interact. energy: -0.000 local terms energy: -32.984938 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.664 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -57.489896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.489896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.489896 (E_RNA) where: Base-Base interactions energy: -21.241 where: short stacking energy: -21.241 Base-Backbone interact. energy: -0.000 local terms energy: -36.248880 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -5.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -52.219417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.219417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.219417 (E_RNA) where: Base-Base interactions energy: -26.503 where: short stacking energy: -22.190 Base-Backbone interact. energy: -0.048 local terms energy: -25.668774 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -47.320629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.320629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.320629 (E_RNA) where: Base-Base interactions energy: -16.540 where: short stacking energy: -16.540 Base-Backbone interact. energy: -0.011 local terms energy: -30.769659 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -38.753027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.753027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.753027 (E_RNA) where: Base-Base interactions energy: -9.914 where: short stacking energy: -9.914 Base-Backbone interact. energy: -0.049 local terms energy: -28.789310 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -43.401565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.401565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.401565 (E_RNA) where: Base-Base interactions energy: -14.024 where: short stacking energy: -14.024 Base-Backbone interact. energy: -0.001 local terms energy: -29.376029 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -5.449 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -69.979786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.979786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.979786 (E_RNA) where: Base-Base interactions energy: -36.826 where: short stacking energy: -26.429 Base-Backbone interact. energy: -0.049 local terms energy: -33.105298 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -8.244 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: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -69.146461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.146461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.146461 (E_RNA) where: Base-Base interactions energy: -28.475 where: short stacking energy: -28.475 Base-Backbone interact. energy: -0.000 local terms energy: -40.671118 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: -7.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -56.378466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.378466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.378466 (E_RNA) where: Base-Base interactions energy: -22.792 where: short stacking energy: -16.798 Base-Backbone interact. energy: -0.519 local terms energy: -33.067384 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -6.021 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: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -60.270667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.270667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.270667 (E_RNA) where: Base-Base interactions energy: -22.982 where: short stacking energy: -22.982 Base-Backbone interact. energy: -0.007 local terms energy: -37.281930 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -56.317536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.317536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.317536 (E_RNA) where: Base-Base interactions energy: -29.684 where: short stacking energy: -14.079 Base-Backbone interact. energy: -0.115 local terms energy: -26.517677 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: 0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -55.408398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.408398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.408398 (E_RNA) where: Base-Base interactions energy: -18.582 where: short stacking energy: -18.582 Base-Backbone interact. energy: -0.001 local terms energy: -36.826231 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -11.241 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: 10 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -48.586754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.586754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.586754 (E_RNA) where: Base-Base interactions energy: -20.631 where: short stacking energy: -20.584 Base-Backbone interact. energy: -0.006 local terms energy: -27.949737 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -50.741433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.741433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.741433 (E_RNA) where: Base-Base interactions energy: -18.562 where: short stacking energy: -18.562 Base-Backbone interact. energy: -0.000 local terms energy: -32.179704 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.865 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: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -47.090877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.090877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.090877 (E_RNA) where: Base-Base interactions energy: -15.389 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.011 local terms energy: -31.690793 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -3.317 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: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -43.248151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.248151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.248151 (E_RNA) where: Base-Base interactions energy: -15.454 where: short stacking energy: -15.454 Base-Backbone interact. energy: -0.016 local terms energy: -27.778708 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -5.327 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: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -67.701377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.701377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.701377 (E_RNA) where: Base-Base interactions energy: -32.169 where: short stacking energy: -26.666 Base-Backbone interact. energy: -0.000 local terms energy: -35.532246 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -74.518184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.518184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.518184 (E_RNA) where: Base-Base interactions energy: -41.155 where: short stacking energy: -27.055 Base-Backbone interact. energy: -0.000 local terms energy: -33.362764 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -7.514 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -58.076922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.076922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.076922 (E_RNA) where: Base-Base interactions energy: -25.334 where: short stacking energy: -22.494 Base-Backbone interact. energy: -0.000 local terms energy: -32.743016 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -57.967220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.967220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.967220 (E_RNA) where: Base-Base interactions energy: -25.750 where: short stacking energy: -25.750 Base-Backbone interact. energy: -0.000 local terms energy: -32.216646 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -7.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -54.265453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.265453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.265453 (E_RNA) where: Base-Base interactions energy: -23.641 where: short stacking energy: -19.081 Base-Backbone interact. energy: -0.198 local terms energy: -30.427119 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -51.452991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.452991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.452991 (E_RNA) where: Base-Base interactions energy: -19.678 where: short stacking energy: -19.678 Base-Backbone interact. energy: -0.001 local terms energy: -31.773980 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -4.354 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: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -47.259212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.259212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.259212 (E_RNA) where: Base-Base interactions energy: -13.950 where: short stacking energy: -13.950 Base-Backbone interact. energy: -0.063 local terms energy: -33.245680 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -3.425 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: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -54.412386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.412386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.412386 (E_RNA) where: Base-Base interactions energy: -26.353 where: short stacking energy: -26.100 Base-Backbone interact. energy: -0.001 local terms energy: -28.058283 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -1.766 tors. eta vs tors. theta energy: -8.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -43.165099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.165099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.165099 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.074 local terms energy: -30.257018 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -38.999061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.999061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.999061 (E_RNA) where: Base-Base interactions energy: -14.697 where: short stacking energy: -14.697 Base-Backbone interact. energy: -0.012 local terms energy: -24.290185 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -61.709627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.709627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.709627 (E_RNA) where: Base-Base interactions energy: -29.672 where: short stacking energy: -25.432 Base-Backbone interact. energy: -0.042 local terms energy: -31.995783 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -57.477665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.477665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.477665 (E_RNA) where: Base-Base interactions energy: -26.862 where: short stacking energy: -22.820 Base-Backbone interact. energy: -0.001 local terms energy: -30.615123 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -66.044639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.044639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.044639 (E_RNA) where: Base-Base interactions energy: -30.298 where: short stacking energy: -22.774 Base-Backbone interact. energy: -0.001 local terms energy: -35.746312 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -57.908210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.908210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.908210 (E_RNA) where: Base-Base interactions energy: -24.912 where: short stacking energy: -16.909 Base-Backbone interact. energy: -0.002 local terms energy: -32.994140 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -4.077 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: 5, replica: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -60.059951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.059951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.059951 (E_RNA) where: Base-Base interactions energy: -23.414 where: short stacking energy: -23.414 Base-Backbone interact. energy: -0.003 local terms energy: -36.643261 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -6.127 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: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -48.591184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.591184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.591184 (E_RNA) where: Base-Base interactions energy: -20.371 where: short stacking energy: -15.979 Base-Backbone interact. energy: -0.043 local terms energy: -28.177609 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -44.186478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.186478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.186478 (E_RNA) where: Base-Base interactions energy: -15.143 where: short stacking energy: -15.143 Base-Backbone interact. energy: -0.006 local terms energy: -29.037874 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -3.947 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: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -47.928436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.928436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.928436 (E_RNA) where: Base-Base interactions energy: -18.110 where: short stacking energy: -18.110 Base-Backbone interact. energy: -0.012 local terms energy: -29.806157 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -43.336122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.336122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.336122 (E_RNA) where: Base-Base interactions energy: -14.204 where: short stacking energy: -14.204 Base-Backbone interact. energy: -0.000 local terms energy: -29.131901 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -6.816 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: 0.214 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -41.321448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.321448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.321448 (E_RNA) where: Base-Base interactions energy: -19.886 where: short stacking energy: -19.886 Base-Backbone interact. energy: 0.921 local terms energy: -22.356266 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -5.011 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -2.746 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: 1, replica: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -55.637948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.637948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.637948 (E_RNA) where: Base-Base interactions energy: -22.518 where: short stacking energy: -22.518 Base-Backbone interact. energy: -0.002 local terms energy: -33.118274 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -63.751585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.751585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.751585 (E_RNA) where: Base-Base interactions energy: -28.491 where: short stacking energy: -27.426 Base-Backbone interact. energy: -0.000 local terms energy: -35.260194 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -61.519994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.519994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.519994 (E_RNA) where: Base-Base interactions energy: -28.207 where: short stacking energy: -12.589 Base-Backbone interact. energy: -0.002 local terms energy: -33.310633 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -5.779 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: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -45.997361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.997361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.997361 (E_RNA) where: Base-Base interactions energy: -12.124 where: short stacking energy: -12.124 Base-Backbone interact. energy: -0.099 local terms energy: -33.774510 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -5.601 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: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -46.438027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.438027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.438027 (E_RNA) where: Base-Base interactions energy: -19.513 where: short stacking energy: -17.195 Base-Backbone interact. energy: -0.002 local terms energy: -26.922917 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -3.160 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: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -47.323435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.323435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.323435 (E_RNA) where: Base-Base interactions energy: -13.292 where: short stacking energy: -13.292 Base-Backbone interact. energy: -0.006 local terms energy: -34.025783 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -5.324 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: 7, replica: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -45.437346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.437346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.437346 (E_RNA) where: Base-Base interactions energy: -16.174 where: short stacking energy: -11.035 Base-Backbone interact. energy: 1.205 local terms energy: -30.468185 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -5.000 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: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -58.637528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.637528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.637528 (E_RNA) where: Base-Base interactions energy: -28.629 where: short stacking energy: -22.305 Base-Backbone interact. energy: -0.084 local terms energy: -29.924455 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -5.968 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: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -45.217896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.217896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.217896 (E_RNA) where: Base-Base interactions energy: -18.710 where: short stacking energy: -17.442 Base-Backbone interact. energy: -0.014 local terms energy: -26.494492 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -3.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -42.056907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.056907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.056907 (E_RNA) where: Base-Base interactions energy: -18.342 where: short stacking energy: -18.342 Base-Backbone interact. energy: -0.089 local terms energy: -23.625459 where: bonds (distance) C4'-P energy: -4.574 bonds (distance) P-C4' energy: -3.034 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -4.212 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: 135 Temperature: 0.900000 Total energy: -64.339688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.339688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.339688 (E_RNA) where: Base-Base interactions energy: -28.853 where: short stacking energy: -28.853 Base-Backbone interact. energy: -0.000 local terms energy: -35.486477 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -73.741207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.741207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.741207 (E_RNA) where: Base-Base interactions energy: -39.231 where: short stacking energy: -29.413 Base-Backbone interact. energy: -0.001 local terms energy: -34.508513 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -9.478 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: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -65.027666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.027666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.027666 (E_RNA) where: Base-Base interactions energy: -32.864 where: short stacking energy: -23.815 Base-Backbone interact. energy: -0.154 local terms energy: -32.010429 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -57.161342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.161342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.161342 (E_RNA) where: Base-Base interactions energy: -20.713 where: short stacking energy: -20.713 Base-Backbone interact. energy: -0.039 local terms energy: -36.408834 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -5.391 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: 5, replica: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -54.934476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.934476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.934476 (E_RNA) where: Base-Base interactions energy: -25.530 where: short stacking energy: -17.593 Base-Backbone interact. energy: -0.008 local terms energy: -29.396068 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -2.480 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -50.361849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.361849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.361849 (E_RNA) where: Base-Base interactions energy: -21.070 where: short stacking energy: -21.070 Base-Backbone interact. energy: -0.013 local terms energy: -29.279365 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.237 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -41.724035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.724035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.724035 (E_RNA) where: Base-Base interactions energy: -15.140 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.107 local terms energy: -26.476342 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -52.440583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.440583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.440583 (E_RNA) where: Base-Base interactions energy: -20.646 where: short stacking energy: -20.646 Base-Backbone interact. energy: -0.000 local terms energy: -31.794331 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -6.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -56.961920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.961920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.961920 (E_RNA) where: Base-Base interactions energy: -22.574 where: short stacking energy: -22.574 Base-Backbone interact. energy: -0.000 local terms energy: -34.387455 where: bonds (distance) C4'-P energy: -6.180 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -4.448 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: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -42.359521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.359521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.359521 (E_RNA) where: Base-Base interactions energy: -15.003 where: short stacking energy: -15.003 Base-Backbone interact. energy: 1.231 local terms energy: -28.587675 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -0.592 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: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -81.651305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.651305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.651305 (E_RNA) where: Base-Base interactions energy: -42.472 where: short stacking energy: -32.620 Base-Backbone interact. energy: -0.009 local terms energy: -39.170075 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -9.182 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -7.489 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: 2, replica: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -61.665513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.665513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.665513 (E_RNA) where: Base-Base interactions energy: -27.567 where: short stacking energy: -27.567 Base-Backbone interact. energy: -0.026 local terms energy: -34.071891 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -4.327 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: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -57.965895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.965895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.965895 (E_RNA) where: Base-Base interactions energy: -23.781 where: short stacking energy: -23.781 Base-Backbone interact. energy: -0.000 local terms energy: -34.185193 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -3.048 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: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -59.390862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.390862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.390862 (E_RNA) where: Base-Base interactions energy: -31.762 where: short stacking energy: -24.401 Base-Backbone interact. energy: -0.018 local terms energy: -27.610443 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -51.410539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.410539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.410539 (E_RNA) where: Base-Base interactions energy: -17.743 where: short stacking energy: -17.743 Base-Backbone interact. energy: -0.050 local terms energy: -33.616807 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.233 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: 6, replica: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -54.162519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.162519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.162519 (E_RNA) where: Base-Base interactions energy: -26.644 where: short stacking energy: -16.119 Base-Backbone interact. energy: -0.092 local terms energy: -27.426980 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -1.715 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -47.531253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.531253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.531253 (E_RNA) where: Base-Base interactions energy: -19.088 where: short stacking energy: -19.088 Base-Backbone interact. energy: 0.598 local terms energy: -29.041554 where: bonds (distance) C4'-P energy: -7.237 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -38.695976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.695976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.695976 (E_RNA) where: Base-Base interactions energy: -13.373 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.140 local terms energy: -25.182669 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: 1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -41.474850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.474850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.474850 (E_RNA) where: Base-Base interactions energy: -14.840 where: short stacking energy: -10.717 Base-Backbone interact. energy: -0.020 local terms energy: -26.615052 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -45.416103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.416103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.416103 (E_RNA) where: Base-Base interactions energy: -15.473 where: short stacking energy: -15.473 Base-Backbone interact. energy: -0.121 local terms energy: -29.822279 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -83.550940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.550940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.550940 (E_RNA) where: Base-Base interactions energy: -45.939 where: short stacking energy: -31.069 Base-Backbone interact. energy: -0.103 local terms energy: -37.509840 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -9.164 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -58.284455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.284455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.284455 (E_RNA) where: Base-Base interactions energy: -22.575 where: short stacking energy: -22.575 Base-Backbone interact. energy: -0.001 local terms energy: -35.709062 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -57.145701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.145701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.145701 (E_RNA) where: Base-Base interactions energy: -25.299 where: short stacking energy: -24.842 Base-Backbone interact. energy: -0.208 local terms energy: -31.637927 where: bonds (distance) C4'-P energy: -7.928 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -2.518 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: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -54.658545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.658545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.658545 (E_RNA) where: Base-Base interactions energy: -21.640 where: short stacking energy: -21.640 Base-Backbone interact. energy: -0.000 local terms energy: -33.018888 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -63.083647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.083647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.083647 (E_RNA) where: Base-Base interactions energy: -29.018 where: short stacking energy: -28.300 Base-Backbone interact. energy: 0.344 local terms energy: -34.409625 where: bonds (distance) C4'-P energy: -6.590 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -51.014401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.014401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.014401 (E_RNA) where: Base-Base interactions energy: -15.746 where: short stacking energy: -15.746 Base-Backbone interact. energy: -0.006 local terms energy: -35.262068 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.868 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -4.283 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: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -48.314674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.314674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.314674 (E_RNA) where: Base-Base interactions energy: -24.375 where: short stacking energy: -21.020 Base-Backbone interact. energy: -0.038 local terms energy: -23.901184 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -1.317 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -41.850230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.850230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.850230 (E_RNA) where: Base-Base interactions energy: -19.750 where: short stacking energy: -14.904 Base-Backbone interact. energy: -0.032 local terms energy: -22.067821 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -50.268728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.268728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.268728 (E_RNA) where: Base-Base interactions energy: -21.025 where: short stacking energy: -21.025 Base-Backbone interact. energy: -0.000 local terms energy: -29.243503 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -40.706556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.706556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.706556 (E_RNA) where: Base-Base interactions energy: -16.874 where: short stacking energy: -15.213 Base-Backbone interact. energy: -1.033 local terms energy: -22.799050 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -71.607577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.607577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.607577 (E_RNA) where: Base-Base interactions energy: -32.299 where: short stacking energy: -32.299 Base-Backbone interact. energy: -0.000 local terms energy: -39.308582 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -10.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -81.291763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.291763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.291763 (E_RNA) where: Base-Base interactions energy: -47.812 where: short stacking energy: -29.522 Base-Backbone interact. energy: -0.000 local terms energy: -33.479138 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -65.221130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.221130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.221130 (E_RNA) where: Base-Base interactions energy: -29.027 where: short stacking energy: -29.027 Base-Backbone interact. energy: -0.000 local terms energy: -36.194280 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.235 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -6.259 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: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -55.249065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.249065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.249065 (E_RNA) where: Base-Base interactions energy: -26.768 where: short stacking energy: -26.768 Base-Backbone interact. energy: -0.002 local terms energy: -28.479221 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -52.666717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.666717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.666717 (E_RNA) where: Base-Base interactions energy: -23.091 where: short stacking energy: -22.733 Base-Backbone interact. energy: -0.008 local terms energy: -29.567512 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -42.077734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.077734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.077734 (E_RNA) where: Base-Base interactions energy: -13.904 where: short stacking energy: -13.904 Base-Backbone interact. energy: 0.665 local terms energy: -28.838294 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -52.521328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.521328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.521328 (E_RNA) where: Base-Base interactions energy: -21.104 where: short stacking energy: -21.104 Base-Backbone interact. energy: -0.002 local terms energy: -31.414696 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -3.779 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: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -48.587549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.587549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.587549 (E_RNA) where: Base-Base interactions energy: -17.977 where: short stacking energy: -17.977 Base-Backbone interact. energy: -0.000 local terms energy: -30.609993 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.533 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -46.634357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.634357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.634357 (E_RNA) where: Base-Base interactions energy: -14.101 where: short stacking energy: -11.822 Base-Backbone interact. energy: -0.001 local terms energy: -32.531648 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.362 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: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -45.178166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.178166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.178166 (E_RNA) where: Base-Base interactions energy: -18.060 where: short stacking energy: -16.229 Base-Backbone interact. energy: -0.191 local terms energy: -26.927234 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -3.282 flat angles P-C4'-P energy: -5.539 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: 1, replica: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -54.958472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.958472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.958472 (E_RNA) where: Base-Base interactions energy: -23.533 where: short stacking energy: -20.182 Base-Backbone interact. energy: -0.843 local terms energy: -30.582828 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -5.853 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: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -72.660237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.660237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.660237 (E_RNA) where: Base-Base interactions energy: -43.566 where: short stacking energy: -25.842 Base-Backbone interact. energy: -0.125 local terms energy: -28.969879 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -6.506 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: 3, replica: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -73.579645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.579645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.579645 (E_RNA) where: Base-Base interactions energy: -33.092 where: short stacking energy: -30.835 Base-Backbone interact. energy: -0.004 local terms energy: -40.484360 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.606 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -9.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -55.960523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.960523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.960523 (E_RNA) where: Base-Base interactions energy: -21.356 where: short stacking energy: -20.835 Base-Backbone interact. energy: -0.001 local terms energy: -34.604174 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -8.792 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -52.322704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.322704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.322704 (E_RNA) where: Base-Base interactions energy: -18.145 where: short stacking energy: -18.145 Base-Backbone interact. energy: -0.000 local terms energy: -34.177790 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -6.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -44.712029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.712029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.712029 (E_RNA) where: Base-Base interactions energy: -15.295 where: short stacking energy: -15.295 Base-Backbone interact. energy: -0.102 local terms energy: -29.315150 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -54.678221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.678221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.678221 (E_RNA) where: Base-Base interactions energy: -21.729 where: short stacking energy: -21.729 Base-Backbone interact. energy: -0.037 local terms energy: -32.912241 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -4.935 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: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -43.786840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.786840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.786840 (E_RNA) where: Base-Base interactions energy: -15.142 where: short stacking energy: -15.142 Base-Backbone interact. energy: -0.004 local terms energy: -28.641108 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -6.924 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: 9, replica: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -44.985304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.985304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.985304 (E_RNA) where: Base-Base interactions energy: -14.204 where: short stacking energy: -14.204 Base-Backbone interact. energy: -0.013 local terms energy: -30.768389 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -1.762 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: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -41.241475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.241475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.241475 (E_RNA) where: Base-Base interactions energy: -11.809 where: short stacking energy: -11.809 Base-Backbone interact. energy: -0.261 local terms energy: -29.171407 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -0.592 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: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -78.834709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.834709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.834709 (E_RNA) where: Base-Base interactions energy: -44.891 where: short stacking energy: -25.892 Base-Backbone interact. energy: -0.046 local terms energy: -33.898040 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -4.788 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: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -67.236460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.236460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.236460 (E_RNA) where: Base-Base interactions energy: -31.689 where: short stacking energy: -22.280 Base-Backbone interact. energy: -0.001 local terms energy: -35.547131 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -6.851 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: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -56.813423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.813423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.813423 (E_RNA) where: Base-Base interactions energy: -24.729 where: short stacking energy: -24.729 Base-Backbone interact. energy: -0.068 local terms energy: -32.016633 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.379 flat angles P-C4'-P energy: -2.236 tors. eta vs tors. theta energy: -5.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -54.208538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.208538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.208538 (E_RNA) where: Base-Base interactions energy: -23.476 where: short stacking energy: -21.646 Base-Backbone interact. energy: -0.070 local terms energy: -30.662669 where: bonds (distance) C4'-P energy: -5.330 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -6.056 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: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -59.561278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.561278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.561278 (E_RNA) where: Base-Base interactions energy: -25.646 where: short stacking energy: -25.646 Base-Backbone interact. energy: -0.000 local terms energy: -33.915037 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -9.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -48.476330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.476330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.476330 (E_RNA) where: Base-Base interactions energy: -19.152 where: short stacking energy: -19.152 Base-Backbone interact. energy: -0.004 local terms energy: -29.320628 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -4.641 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: 7, replica: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -47.012761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.012761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.012761 (E_RNA) where: Base-Base interactions energy: -22.130 where: short stacking energy: -9.479 Base-Backbone interact. energy: -0.214 local terms energy: -24.668955 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -0.419 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: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -51.198930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.198930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.198930 (E_RNA) where: Base-Base interactions energy: -16.716 where: short stacking energy: -15.860 Base-Backbone interact. energy: -0.042 local terms energy: -34.441352 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -51.501387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.501387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.501387 (E_RNA) where: Base-Base interactions energy: -21.499 where: short stacking energy: -18.031 Base-Backbone interact. energy: 0.293 local terms energy: -30.295593 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -5.177 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: 10, replica: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -43.059600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.059600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.059600 (E_RNA) where: Base-Base interactions energy: -19.703 where: short stacking energy: -16.943 Base-Backbone interact. energy: -0.005 local terms energy: -23.351515 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -84.308105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.308105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.308105 (E_RNA) where: Base-Base interactions energy: -46.965 where: short stacking energy: -29.652 Base-Backbone interact. energy: -0.004 local terms energy: -37.339898 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.379 flat angles C4'-P-C4' energy: -9.589 flat angles P-C4'-P energy: -6.265 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: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -59.644088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.644088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.644088 (E_RNA) where: Base-Base interactions energy: -29.387 where: short stacking energy: -29.387 Base-Backbone interact. energy: -0.002 local terms energy: -30.255500 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -5.221 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -53.272945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.272945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.272945 (E_RNA) where: Base-Base interactions energy: -20.596 where: short stacking energy: -20.596 Base-Backbone interact. energy: -0.083 local terms energy: -32.593841 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -4.858 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: 4, replica: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -53.589455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.589455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.589455 (E_RNA) where: Base-Base interactions energy: -21.814 where: short stacking energy: -19.139 Base-Backbone interact. energy: -0.049 local terms energy: -31.726500 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -53.275816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.275816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.275816 (E_RNA) where: Base-Base interactions energy: -21.697 where: short stacking energy: -21.697 Base-Backbone interact. energy: -0.000 local terms energy: -31.578568 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -3.964 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: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -57.845352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.845352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.845352 (E_RNA) where: Base-Base interactions energy: -27.792 where: short stacking energy: -24.787 Base-Backbone interact. energy: -0.000 local terms energy: -30.053587 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -6.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -49.697183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.697183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.697183 (E_RNA) where: Base-Base interactions energy: -17.076 where: short stacking energy: -13.526 Base-Backbone interact. energy: -0.094 local terms energy: -32.527202 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.411 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -50.026577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.026577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.026577 (E_RNA) where: Base-Base interactions energy: -18.628 where: short stacking energy: -18.628 Base-Backbone interact. energy: -0.020 local terms energy: -31.378962 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -52.943073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.943073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.943073 (E_RNA) where: Base-Base interactions energy: -20.886 where: short stacking energy: -20.886 Base-Backbone interact. energy: -0.170 local terms energy: -31.886691 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -7.467 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: 10, replica: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -45.463869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.463869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.463869 (E_RNA) where: Base-Base interactions energy: -13.970 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.008 local terms energy: -31.485631 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -79.557486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.557486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.557486 (E_RNA) where: Base-Base interactions energy: -42.116 where: short stacking energy: -28.132 Base-Backbone interact. energy: -0.034 local terms energy: -37.408161 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -7.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -66.743052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.743052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.743052 (E_RNA) where: Base-Base interactions energy: -34.136 where: short stacking energy: -34.136 Base-Backbone interact. energy: -0.005 local terms energy: -32.602298 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.516 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -7.036 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: 142 Temperature: 1.000000 Total energy: -53.699898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.699898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.699898 (E_RNA) where: Base-Base interactions energy: -19.479 where: short stacking energy: -19.479 Base-Backbone interact. energy: -0.097 local terms energy: -34.124259 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -52.811448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.811448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.811448 (E_RNA) where: Base-Base interactions energy: -20.953 where: short stacking energy: -20.953 Base-Backbone interact. energy: -0.016 local terms energy: -31.842104 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -4.170 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: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -59.326405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.326405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.326405 (E_RNA) where: Base-Base interactions energy: -25.337 where: short stacking energy: -20.084 Base-Backbone interact. energy: -0.000 local terms energy: -33.989649 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -6.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -57.717440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.717440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.717440 (E_RNA) where: Base-Base interactions energy: -27.805 where: short stacking energy: -23.438 Base-Backbone interact. energy: -0.007 local terms energy: -29.905584 where: bonds (distance) C4'-P energy: -2.049 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -8.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -49.180282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.180282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.180282 (E_RNA) where: Base-Base interactions energy: -18.877 where: short stacking energy: -18.778 Base-Backbone interact. energy: -0.024 local terms energy: -30.279340 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -41.288749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.288749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.288749 (E_RNA) where: Base-Base interactions energy: -11.872 where: short stacking energy: -11.002 Base-Backbone interact. energy: -0.163 local terms energy: -29.254272 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -43.438108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.438108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.438108 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.039 local terms energy: -29.390795 where: bonds (distance) C4'-P energy: -6.109 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -39.521549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.521549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.521549 (E_RNA) where: Base-Base interactions energy: -15.262 where: short stacking energy: -15.262 Base-Backbone interact. energy: -0.019 local terms energy: -24.240631 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -5.977 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -75.737493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.737493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.737493 (E_RNA) where: Base-Base interactions energy: -44.413 where: short stacking energy: -23.119 Base-Backbone interact. energy: -0.004 local terms energy: -31.321015 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -5.827 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: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -63.641031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.641031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.641031 (E_RNA) where: Base-Base interactions energy: -29.426 where: short stacking energy: -17.259 Base-Backbone interact. energy: -0.035 local terms energy: -34.179418 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -2.994 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: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -58.358549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.358549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.358549 (E_RNA) where: Base-Base interactions energy: -22.822 where: short stacking energy: -22.822 Base-Backbone interact. energy: -0.097 local terms energy: -35.439689 where: bonds (distance) C4'-P energy: -6.375 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -56.809562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.809562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.809562 (E_RNA) where: Base-Base interactions energy: -21.903 where: short stacking energy: -21.903 Base-Backbone interact. energy: -0.000 local terms energy: -34.906569 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -7.235 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: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -52.723606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.723606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.723606 (E_RNA) where: Base-Base interactions energy: -17.601 where: short stacking energy: -17.601 Base-Backbone interact. energy: -0.000 local terms energy: -35.122013 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -6.071 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: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -45.270825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.270825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.270825 (E_RNA) where: Base-Base interactions energy: -15.058 where: short stacking energy: -15.032 Base-Backbone interact. energy: -0.112 local terms energy: -30.101097 where: bonds (distance) C4'-P energy: -3.532 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -49.352490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.352490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.352490 (E_RNA) where: Base-Base interactions energy: -18.759 where: short stacking energy: -18.759 Base-Backbone interact. energy: -0.000 local terms energy: -30.593125 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -3.356 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: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -49.321072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.321072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.321072 (E_RNA) where: Base-Base interactions energy: -21.947 where: short stacking energy: -21.947 Base-Backbone interact. energy: -0.001 local terms energy: -27.373242 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.362 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -44.804759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.804759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.804759 (E_RNA) where: Base-Base interactions energy: -13.893 where: short stacking energy: -13.893 Base-Backbone interact. energy: -0.014 local terms energy: -30.897528 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -4.367 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: 10, replica: 2 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -48.385739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.385739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.385739 (E_RNA) where: Base-Base interactions energy: -17.232 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.088 local terms energy: -31.065191 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -2.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -76.426128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.426128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.426128 (E_RNA) where: Base-Base interactions energy: -43.944 where: short stacking energy: -23.696 Base-Backbone interact. energy: -0.096 local terms energy: -32.386199 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -6.391 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: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -68.936250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.936250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.936250 (E_RNA) where: Base-Base interactions energy: -36.343 where: short stacking energy: -30.849 Base-Backbone interact. energy: -0.000 local terms energy: -32.593113 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -5.228 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -5.779 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: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -54.973291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.973291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.973291 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -20.568 Base-Backbone interact. energy: -0.094 local terms energy: -34.310781 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -52.474554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.474554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.474554 (E_RNA) where: Base-Base interactions energy: -17.379 where: short stacking energy: -17.379 Base-Backbone interact. energy: -0.045 local terms energy: -35.050964 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -5.553 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: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -61.141923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.141923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.141923 (E_RNA) where: Base-Base interactions energy: -34.794 where: short stacking energy: -16.156 Base-Backbone interact. energy: -0.079 local terms energy: -26.268640 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: 0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -49.667431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.667431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.667431 (E_RNA) where: Base-Base interactions energy: -16.718 where: short stacking energy: -16.184 Base-Backbone interact. energy: -0.113 local terms energy: -32.836438 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -46.708844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.708844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.708844 (E_RNA) where: Base-Base interactions energy: -16.276 where: short stacking energy: -16.276 Base-Backbone interact. energy: -0.024 local terms energy: -30.408776 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -44.782215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.782215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.782215 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -14.281 Base-Backbone interact. energy: 0.393 local terms energy: -30.893592 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -3.487 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: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -51.837329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.837329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.837329 (E_RNA) where: Base-Base interactions energy: -15.078 where: short stacking energy: -15.078 Base-Backbone interact. energy: -0.003 local terms energy: -36.755660 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -6.193 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: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -41.986772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.986772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.986772 (E_RNA) where: Base-Base interactions energy: -18.113 where: short stacking energy: -14.076 Base-Backbone interact. energy: -0.255 local terms energy: -23.619107 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -1.954 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: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -79.736921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.736921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.736921 (E_RNA) where: Base-Base interactions energy: -41.799 where: short stacking energy: -30.788 Base-Backbone interact. energy: -0.003 local terms energy: -37.934362 where: bonds (distance) C4'-P energy: -7.605 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -5.106 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: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -75.586944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.586944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.586944 (E_RNA) where: Base-Base interactions energy: -45.692 where: short stacking energy: -24.968 Base-Backbone interact. energy: -0.013 local terms energy: -29.881795 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -3.672 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: 3, replica: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -52.496192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.496192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.496192 (E_RNA) where: Base-Base interactions energy: -21.037 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.008 local terms energy: -31.450886 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -58.529977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.529977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.529977 (E_RNA) where: Base-Base interactions energy: -29.317 where: short stacking energy: -25.111 Base-Backbone interact. energy: -0.008 local terms energy: -29.204713 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -6.975 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -56.157313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.157313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.157313 (E_RNA) where: Base-Base interactions energy: -20.659 where: short stacking energy: -20.659 Base-Backbone interact. energy: -0.946 local terms energy: -34.552855 where: bonds (distance) C4'-P energy: -7.376 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -47.130464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.130464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.130464 (E_RNA) where: Base-Base interactions energy: -19.079 where: short stacking energy: -19.079 Base-Backbone interact. energy: -0.030 local terms energy: -28.021410 where: bonds (distance) C4'-P energy: -3.743 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -3.352 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: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -61.317773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.317773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.317773 (E_RNA) where: Base-Base interactions energy: -28.214 where: short stacking energy: -28.214 Base-Backbone interact. energy: -0.000 local terms energy: -33.103863 where: bonds (distance) C4'-P energy: -4.819 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -9.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -41.201413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.201413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.201413 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.002 local terms energy: -28.728706 where: bonds (distance) C4'-P energy: -6.714 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -1.983 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -41.158951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.158951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.158951 (E_RNA) where: Base-Base interactions energy: -10.966 where: short stacking energy: -8.610 Base-Backbone interact. energy: -0.036 local terms energy: -30.156869 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -6.978 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: 0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -42.149745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.149745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.149745 (E_RNA) where: Base-Base interactions energy: -12.850 where: short stacking energy: -9.427 Base-Backbone interact. energy: -0.003 local terms energy: -29.297036 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -67.248174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.248174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.248174 (E_RNA) where: Base-Base interactions energy: -32.808 where: short stacking energy: -22.663 Base-Backbone interact. energy: -0.004 local terms energy: -34.436736 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -5.765 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: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -79.364844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.364844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.364844 (E_RNA) where: Base-Base interactions energy: -47.685 where: short stacking energy: -21.234 Base-Backbone interact. energy: 0.863 local terms energy: -32.542849 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -4.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -60.046018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.046018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.046018 (E_RNA) where: Base-Base interactions energy: -25.240 where: short stacking energy: -20.903 Base-Backbone interact. energy: -0.028 local terms energy: -34.778228 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -5.277 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: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -57.477159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.477159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.477159 (E_RNA) where: Base-Base interactions energy: -21.862 where: short stacking energy: -21.862 Base-Backbone interact. energy: -0.089 local terms energy: -35.526527 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -8.388 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -51.092457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.092457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.092457 (E_RNA) where: Base-Base interactions energy: -17.668 where: short stacking energy: -17.668 Base-Backbone interact. energy: -0.033 local terms energy: -33.390594 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -6.057 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: 6, replica: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -57.352766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.352766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.352766 (E_RNA) where: Base-Base interactions energy: -26.117 where: short stacking energy: -26.117 Base-Backbone interact. energy: -0.000 local terms energy: -31.235514 where: bonds (distance) C4'-P energy: -3.639 bonds (distance) P-C4' energy: -6.372 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -4.456 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: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -47.607265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.607265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.607265 (E_RNA) where: Base-Base interactions energy: -19.377 where: short stacking energy: -17.565 Base-Backbone interact. energy: -0.370 local terms energy: -27.859728 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -5.986 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: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -42.608206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.608206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.608206 (E_RNA) where: Base-Base interactions energy: -14.340 where: short stacking energy: -12.824 Base-Backbone interact. energy: -0.108 local terms energy: -28.160448 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -1.130 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -43.256550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.256550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.256550 (E_RNA) where: Base-Base interactions energy: -22.218 where: short stacking energy: -11.259 Base-Backbone interact. energy: -0.071 local terms energy: -20.967915 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -46.848237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.848237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.848237 (E_RNA) where: Base-Base interactions energy: -21.397 where: short stacking energy: -16.703 Base-Backbone interact. energy: -0.013 local terms energy: -25.439096 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.157 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -4.565 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: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -61.015554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.015554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.015554 (E_RNA) where: Base-Base interactions energy: -28.936 where: short stacking energy: -18.621 Base-Backbone interact. energy: 0.640 local terms energy: -32.719859 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -52.413424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.413424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.413424 (E_RNA) where: Base-Base interactions energy: -20.678 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.252 local terms energy: -31.483475 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -80.939102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.939102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.939102 (E_RNA) where: Base-Base interactions energy: -50.979 where: short stacking energy: -25.082 Base-Backbone interact. energy: -0.698 local terms energy: -29.261980 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -2.140 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: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -50.846101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.846101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.846101 (E_RNA) where: Base-Base interactions energy: -21.639 where: short stacking energy: -21.336 Base-Backbone interact. energy: 0.019 local terms energy: -29.225738 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -59.416106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.416106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.416106 (E_RNA) where: Base-Base interactions energy: -22.968 where: short stacking energy: -17.393 Base-Backbone interact. energy: -0.094 local terms energy: -36.353873 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.419 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -49.633739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.633739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.633739 (E_RNA) where: Base-Base interactions energy: -17.959 where: short stacking energy: -17.018 Base-Backbone interact. energy: -0.767 local terms energy: -30.907188 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -5.819 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: 7, replica: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -49.023590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.023590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.023590 (E_RNA) where: Base-Base interactions energy: -21.037 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.001 local terms energy: -27.985574 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: 0.742 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: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -36.566829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.566829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.566829 (E_RNA) where: Base-Base interactions energy: -10.264 where: short stacking energy: -9.376 Base-Backbone interact. energy: -0.059 local terms energy: -26.243615 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -39.558562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.558562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.558562 (E_RNA) where: Base-Base interactions energy: -11.648 where: short stacking energy: -11.648 Base-Backbone interact. energy: -0.098 local terms energy: -27.812433 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -39.487071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.487071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.487071 (E_RNA) where: Base-Base interactions energy: -14.220 where: short stacking energy: -14.220 Base-Backbone interact. energy: 0.525 local terms energy: -25.792606 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -5.774 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -68.164897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.164897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.164897 (E_RNA) where: Base-Base interactions energy: -29.336 where: short stacking energy: -29.336 Base-Backbone interact. energy: -0.000 local terms energy: -38.828796 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -9.330 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: 2, replica: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -63.272901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.272901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.272901 (E_RNA) where: Base-Base interactions energy: -29.439 where: short stacking energy: -18.648 Base-Backbone interact. energy: 0.468 local terms energy: -34.302261 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -73.384285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.384285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.384285 (E_RNA) where: Base-Base interactions energy: -44.206 where: short stacking energy: -24.419 Base-Backbone interact. energy: -0.007 local terms energy: -29.170629 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -5.108 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: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -51.468387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.468387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.468387 (E_RNA) where: Base-Base interactions energy: -26.220 where: short stacking energy: -16.499 Base-Backbone interact. energy: -0.103 local terms energy: -25.144976 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -64.729492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.729492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.729492 (E_RNA) where: Base-Base interactions energy: -28.040 where: short stacking energy: -28.040 Base-Backbone interact. energy: -0.000 local terms energy: -36.689496 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -51.891888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.891888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.891888 (E_RNA) where: Base-Base interactions energy: -20.414 where: short stacking energy: -20.414 Base-Backbone interact. energy: -0.000 local terms energy: -31.478049 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -1.336 tors. eta vs tors. theta energy: -9.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -49.952487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.952487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.952487 (E_RNA) where: Base-Base interactions energy: -19.033 where: short stacking energy: -19.033 Base-Backbone interact. energy: -0.003 local terms energy: -30.916939 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -49.761817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.761817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.761817 (E_RNA) where: Base-Base interactions energy: -17.882 where: short stacking energy: -17.882 Base-Backbone interact. energy: -0.002 local terms energy: -31.877142 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -44.181823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.181823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.181823 (E_RNA) where: Base-Base interactions energy: -17.102 where: short stacking energy: -17.102 Base-Backbone interact. energy: -0.004 local terms energy: -27.075175 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -2.882 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: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -45.337349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.337349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.337349 (E_RNA) where: Base-Base interactions energy: -15.552 where: short stacking energy: -15.552 Base-Backbone interact. energy: -0.085 local terms energy: -29.701147 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -5.246 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: 1, replica: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -74.268526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.268526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.268526 (E_RNA) where: Base-Base interactions energy: -36.618 where: short stacking energy: -30.618 Base-Backbone interact. energy: -0.000 local terms energy: -37.650061 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -7.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -68.743599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.743599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.743599 (E_RNA) where: Base-Base interactions energy: -33.184 where: short stacking energy: -22.769 Base-Backbone interact. energy: -0.004 local terms energy: -35.555610 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.119 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: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -62.283342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.283342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.283342 (E_RNA) where: Base-Base interactions energy: -26.509 where: short stacking energy: -26.509 Base-Backbone interact. energy: -0.065 local terms energy: -35.710220 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -8.103 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: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -59.535552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.535552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.535552 (E_RNA) where: Base-Base interactions energy: -30.100 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.002 local terms energy: -29.434043 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -54.624806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.624806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.624806 (E_RNA) where: Base-Base interactions energy: -28.419 where: short stacking energy: -19.680 Base-Backbone interact. energy: -0.003 local terms energy: -26.203482 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -0.467 tors. eta vs tors. theta energy: -5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -55.984025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.984025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.984025 (E_RNA) where: Base-Base interactions energy: -23.572 where: short stacking energy: -19.179 Base-Backbone interact. energy: -0.006 local terms energy: -32.406495 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -6.168 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: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -49.956048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.956048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.956048 (E_RNA) where: Base-Base interactions energy: -17.984 where: short stacking energy: -17.984 Base-Backbone interact. energy: -0.004 local terms energy: -31.967916 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -5.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -46.219731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.219731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.219731 (E_RNA) where: Base-Base interactions energy: -16.274 where: short stacking energy: -16.274 Base-Backbone interact. energy: -0.194 local terms energy: -29.751136 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -47.462803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.462803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.462803 (E_RNA) where: Base-Base interactions energy: -23.724 where: short stacking energy: -16.119 Base-Backbone interact. energy: -0.030 local terms energy: -23.709163 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -3.921 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -38.118581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.118581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.118581 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.129 Base-Backbone interact. energy: 0.024 local terms energy: -28.013367 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -86.199789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.199789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.199789 (E_RNA) where: Base-Base interactions energy: -49.257 where: short stacking energy: -31.821 Base-Backbone interact. energy: -0.000 local terms energy: -36.943087 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -8.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -71.432449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.432449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.432449 (E_RNA) where: Base-Base interactions energy: -39.021 where: short stacking energy: -34.360 Base-Backbone interact. energy: -0.000 local terms energy: -32.411535 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -7.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -58.139354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.139354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.139354 (E_RNA) where: Base-Base interactions energy: -22.658 where: short stacking energy: -22.658 Base-Backbone interact. energy: -0.000 local terms energy: -35.481095 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -53.554310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.554310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.554310 (E_RNA) where: Base-Base interactions energy: -21.353 where: short stacking energy: -21.353 Base-Backbone interact. energy: -0.078 local terms energy: -32.123382 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -4.713 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: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -46.683065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.683065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.683065 (E_RNA) where: Base-Base interactions energy: -20.492 where: short stacking energy: -20.492 Base-Backbone interact. energy: -0.044 local terms energy: -26.147220 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -58.560773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.560773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.560773 (E_RNA) where: Base-Base interactions energy: -26.443 where: short stacking energy: -21.810 Base-Backbone interact. energy: -0.000 local terms energy: -32.117434 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -2.557 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -6.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -46.129119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.129119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.129119 (E_RNA) where: Base-Base interactions energy: -22.423 where: short stacking energy: -11.373 Base-Backbone interact. energy: 0.400 local terms energy: -24.106306 where: bonds (distance) C4'-P energy: -1.027 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -45.241868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.241868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.241868 (E_RNA) where: Base-Base interactions energy: -25.662 where: short stacking energy: -12.973 Base-Backbone interact. energy: -0.043 local terms energy: -19.536881 where: bonds (distance) C4'-P energy: -3.801 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -47.797936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.797936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.797936 (E_RNA) where: Base-Base interactions energy: -20.292 where: short stacking energy: -20.292 Base-Backbone interact. energy: -0.002 local terms energy: -27.503834 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -3.425 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: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -40.106692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.106692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.106692 (E_RNA) where: Base-Base interactions energy: -25.889 where: short stacking energy: -25.889 Base-Backbone interact. energy: -0.041 local terms energy: -14.175926 where: bonds (distance) C4'-P energy: -3.763 bonds (distance) P-C4' energy: -2.452 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: 1.047 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -81.969723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.969723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.969723 (E_RNA) where: Base-Base interactions energy: -44.903 where: short stacking energy: -30.112 Base-Backbone interact. energy: -0.081 local terms energy: -36.985273 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -7.153 tors. eta vs tors. theta energy: -8.271 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: 2, replica: 2 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -61.055211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.055211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.055211 (E_RNA) where: Base-Base interactions energy: -23.104 where: short stacking energy: -23.104 Base-Backbone interact. energy: -0.012 local terms energy: -37.939225 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -9.310 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -7.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -53.863991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.863991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.863991 (E_RNA) where: Base-Base interactions energy: -21.095 where: short stacking energy: -20.762 Base-Backbone interact. energy: -0.008 local terms energy: -32.761261 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -4.436 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: 4, replica: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -67.809977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.809977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.809977 (E_RNA) where: Base-Base interactions energy: -27.617 where: short stacking energy: -27.617 Base-Backbone interact. energy: -0.000 local terms energy: -40.193122 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -11.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -58.654495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.654495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.654495 (E_RNA) where: Base-Base interactions energy: -25.084 where: short stacking energy: -25.084 Base-Backbone interact. energy: -0.045 local terms energy: -33.525366 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.018 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -55.819928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.819928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.819928 (E_RNA) where: Base-Base interactions energy: -21.418 where: short stacking energy: -21.418 Base-Backbone interact. energy: -0.014 local terms energy: -34.387802 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -5.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -47.319947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.319947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.319947 (E_RNA) where: Base-Base interactions energy: -17.383 where: short stacking energy: -17.383 Base-Backbone interact. energy: -0.015 local terms energy: -29.921439 where: bonds (distance) C4'-P energy: -2.539 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -6.371 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: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -42.471121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.471121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.471121 (E_RNA) where: Base-Base interactions energy: -15.783 where: short stacking energy: -13.459 Base-Backbone interact. energy: -0.077 local terms energy: -26.611084 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -0.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -47.122629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.122629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.122629 (E_RNA) where: Base-Base interactions energy: -14.864 where: short stacking energy: -14.864 Base-Backbone interact. energy: -0.033 local terms energy: -32.225621 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -6.422 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: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -38.139009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.139009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.139009 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.490 Base-Backbone interact. energy: -0.043 local terms energy: -26.605401 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: 0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -80.026153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.026153 (E_RNA) where: Base-Base interactions energy: -41.880 where: short stacking energy: -25.901 Base-Backbone interact. energy: -0.029 local terms energy: -38.117545 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.896 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -7.092 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: 152 Temperature: 0.950000 Total energy: -57.860149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.860149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.860149 (E_RNA) where: Base-Base interactions energy: -23.641 where: short stacking energy: -23.641 Base-Backbone interact. energy: -0.001 local terms energy: -34.218792 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -48.912598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.912598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.912598 (E_RNA) where: Base-Base interactions energy: -18.738 where: short stacking energy: -18.738 Base-Backbone interact. energy: -0.011 local terms energy: -30.163466 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.826 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: 4, replica: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -57.798811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.798811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.798811 (E_RNA) where: Base-Base interactions energy: -27.583 where: short stacking energy: -24.291 Base-Backbone interact. energy: -0.071 local terms energy: -30.145178 where: bonds (distance) C4'-P energy: -6.872 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -3.267 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: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -61.877343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.877343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.877343 (E_RNA) where: Base-Base interactions energy: -25.679 where: short stacking energy: -21.567 Base-Backbone interact. energy: -0.040 local terms energy: -36.159197 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -59.979046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.979046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.979046 (E_RNA) where: Base-Base interactions energy: -25.050 where: short stacking energy: -18.480 Base-Backbone interact. energy: -0.061 local terms energy: -34.867179 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -49.104833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.104833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.104833 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -17.199 Base-Backbone interact. energy: -0.035 local terms energy: -31.870804 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.604 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -47.227317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.227317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.227317 (E_RNA) where: Base-Base interactions energy: -16.186 where: short stacking energy: -13.310 Base-Backbone interact. energy: 0.323 local terms energy: -31.364520 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -48.556994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.556994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.556994 (E_RNA) where: Base-Base interactions energy: -15.809 where: short stacking energy: -15.809 Base-Backbone interact. energy: -0.096 local terms energy: -32.652688 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -38.209881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.209881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.209881 (E_RNA) where: Base-Base interactions energy: -9.502 where: short stacking energy: -9.502 Base-Backbone interact. energy: -0.253 local terms energy: -28.455073 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -71.703810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.703810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.703810 (E_RNA) where: Base-Base interactions energy: -33.683 where: short stacking energy: -23.154 Base-Backbone interact. energy: -0.000 local terms energy: -38.020246 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -7.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -72.043232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.043232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.043232 (E_RNA) where: Base-Base interactions energy: -37.078 where: short stacking energy: -20.058 Base-Backbone interact. energy: -0.000 local terms energy: -34.965253 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -3.963 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: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -63.379027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.379027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.379027 (E_RNA) where: Base-Base interactions energy: -34.734 where: short stacking energy: -17.326 Base-Backbone interact. energy: -0.011 local terms energy: -28.633929 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -4.211 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: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -52.737194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.737194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.737194 (E_RNA) where: Base-Base interactions energy: -18.916 where: short stacking energy: -18.916 Base-Backbone interact. energy: -0.025 local terms energy: -33.795951 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -64.820822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.820822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.820822 (E_RNA) where: Base-Base interactions energy: -35.559 where: short stacking energy: -20.211 Base-Backbone interact. energy: -0.001 local terms energy: -29.260925 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -2.976 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: 6, replica: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -52.903914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.903914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.903914 (E_RNA) where: Base-Base interactions energy: -25.379 where: short stacking energy: -25.379 Base-Backbone interact. energy: -0.000 local terms energy: -27.524837 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -49.214416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.214416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.214416 (E_RNA) where: Base-Base interactions energy: -22.016 where: short stacking energy: -15.972 Base-Backbone interact. energy: -0.143 local terms energy: -27.055120 where: bonds (distance) C4'-P energy: -5.522 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -2.791 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: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -43.509705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.509705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.509705 (E_RNA) where: Base-Base interactions energy: -16.177 where: short stacking energy: -10.612 Base-Backbone interact. energy: -0.003 local terms energy: -27.329094 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -4.047 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: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -54.580406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.580406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.580406 (E_RNA) where: Base-Base interactions energy: -29.758 where: short stacking energy: -21.351 Base-Backbone interact. energy: -0.030 local terms energy: -24.792562 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.120 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: 10, replica: 6 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -45.256944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.256944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.256944 (E_RNA) where: Base-Base interactions energy: -16.365 where: short stacking energy: -16.365 Base-Backbone interact. energy: -0.003 local terms energy: -28.888896 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -66.410597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.410597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.410597 (E_RNA) where: Base-Base interactions energy: -31.429 where: short stacking energy: -29.078 Base-Backbone interact. energy: -0.021 local terms energy: -34.961061 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -80.156210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.156210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.156210 (E_RNA) where: Base-Base interactions energy: -44.942 where: short stacking energy: -34.736 Base-Backbone interact. energy: -0.008 local terms energy: -35.205928 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -63.000758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.000758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.000758 (E_RNA) where: Base-Base interactions energy: -31.072 where: short stacking energy: -17.308 Base-Backbone interact. energy: -0.008 local terms energy: -31.920991 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.815 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: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -51.712525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.712525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.712525 (E_RNA) where: Base-Base interactions energy: -21.038 where: short stacking energy: -21.038 Base-Backbone interact. energy: -0.152 local terms energy: -30.522697 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -52.613482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.613482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.613482 (E_RNA) where: Base-Base interactions energy: -18.949 where: short stacking energy: -18.949 Base-Backbone interact. energy: -0.047 local terms energy: -33.617610 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -51.685614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.685614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.685614 (E_RNA) where: Base-Base interactions energy: -19.178 where: short stacking energy: -19.178 Base-Backbone interact. energy: -0.001 local terms energy: -32.506636 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -4.751 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: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -50.602172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.602172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.602172 (E_RNA) where: Base-Base interactions energy: -19.813 where: short stacking energy: -13.253 Base-Backbone interact. energy: 0.038 local terms energy: -30.827167 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -48.651670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.651670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.651670 (E_RNA) where: Base-Base interactions energy: -21.411 where: short stacking energy: -21.411 Base-Backbone interact. energy: -0.000 local terms energy: -27.240697 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.177 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -2.933 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: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -50.066045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.066045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.066045 (E_RNA) where: Base-Base interactions energy: -28.450 where: short stacking energy: -15.962 Base-Backbone interact. energy: -0.004 local terms energy: -21.612466 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -4.324 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -1.535 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -38.004639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.004639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.004639 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.070 local terms energy: -25.044997 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -70.809812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.809812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.809812 (E_RNA) where: Base-Base interactions energy: -31.722 where: short stacking energy: -31.722 Base-Backbone interact. energy: -0.000 local terms energy: -39.087545 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -10.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -76.647040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.647040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.647040 (E_RNA) where: Base-Base interactions energy: -46.001 where: short stacking energy: -22.550 Base-Backbone interact. energy: -0.043 local terms energy: -30.603653 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -2.423 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -4.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -59.542007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.542007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.542007 (E_RNA) where: Base-Base interactions energy: -29.415 where: short stacking energy: -27.551 Base-Backbone interact. energy: -0.006 local terms energy: -30.121612 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -6.014 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -5.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -54.332139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.332139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.332139 (E_RNA) where: Base-Base interactions energy: -26.165 where: short stacking energy: -24.970 Base-Backbone interact. energy: -0.002 local terms energy: -28.164998 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -2.815 flat angles P-C4'-P energy: -4.454 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: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -56.986284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.986284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.986284 (E_RNA) where: Base-Base interactions energy: -22.871 where: short stacking energy: -22.871 Base-Backbone interact. energy: 0.463 local terms energy: -34.578477 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -6.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -51.968784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.968784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.968784 (E_RNA) where: Base-Base interactions energy: -22.832 where: short stacking energy: -22.832 Base-Backbone interact. energy: -0.000 local terms energy: -29.136444 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -6.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -44.717571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.717571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.717571 (E_RNA) where: Base-Base interactions energy: -19.871 where: short stacking energy: -11.655 Base-Backbone interact. energy: -0.012 local terms energy: -24.834231 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -43.590453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.590453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.590453 (E_RNA) where: Base-Base interactions energy: -13.138 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.010 local terms energy: -30.442347 where: bonds (distance) C4'-P energy: -7.105 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -6.139 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: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -44.067455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.067455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.067455 (E_RNA) where: Base-Base interactions energy: -15.041 where: short stacking energy: -15.041 Base-Backbone interact. energy: -0.002 local terms energy: -29.024977 where: bonds (distance) C4'-P energy: -6.486 bonds (distance) P-C4' energy: -7.533 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -45.302693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.302693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.302693 (E_RNA) where: Base-Base interactions energy: -14.203 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.005 local terms energy: -31.094765 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -6.563 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: 1, replica: 4 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -65.283145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.283145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.283145 (E_RNA) where: Base-Base interactions energy: -37.382 where: short stacking energy: -17.779 Base-Backbone interact. energy: 0.208 local terms energy: -28.108998 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -57.831453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.831453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.831453 (E_RNA) where: Base-Base interactions energy: -23.035 where: short stacking energy: -18.278 Base-Backbone interact. energy: -0.003 local terms energy: -34.793427 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -4.796 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: 3, replica: 10 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -56.282853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.282853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.282853 (E_RNA) where: Base-Base interactions energy: -28.572 where: short stacking energy: -21.408 Base-Backbone interact. energy: -0.010 local terms energy: -27.700971 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -3.336 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: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -61.700404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.700404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.700404 (E_RNA) where: Base-Base interactions energy: -30.203 where: short stacking energy: -30.203 Base-Backbone interact. energy: -0.004 local terms energy: -31.492754 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.950 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: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -46.101675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.101675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.101675 (E_RNA) where: Base-Base interactions energy: -17.500 where: short stacking energy: -17.500 Base-Backbone interact. energy: 0.769 local terms energy: -29.370853 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -57.916279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.916279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.916279 (E_RNA) where: Base-Base interactions energy: -22.323 where: short stacking energy: -22.323 Base-Backbone interact. energy: -0.085 local terms energy: -35.508396 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -45.291857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.291857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.291857 (E_RNA) where: Base-Base interactions energy: -21.136 where: short stacking energy: -21.136 Base-Backbone interact. energy: -0.006 local terms energy: -24.150272 where: bonds (distance) C4'-P energy: -5.074 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -4.204 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: 8, replica: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -48.917554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.917554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.917554 (E_RNA) where: Base-Base interactions energy: -20.754 where: short stacking energy: -20.754 Base-Backbone interact. energy: -0.196 local terms energy: -27.967019 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -1.287 tors. eta vs tors. theta energy: -6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -40.667980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.667980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.667980 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.121 local terms energy: -29.942535 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -0.413 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: 156 Temperature: 1.350000 Total energy: -43.481604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.481604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.481604 (E_RNA) where: Base-Base interactions energy: -17.420 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.000 local terms energy: -26.061006 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -2.075 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -72.552401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.552401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.552401 (E_RNA) where: Base-Base interactions energy: -35.239 where: short stacking energy: -30.079 Base-Backbone interact. energy: -0.050 local terms energy: -37.263288 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -8.899 flat angles P-C4'-P energy: -5.885 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: 157 Temperature: 0.950000 Total energy: -59.895473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.895473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.895473 (E_RNA) where: Base-Base interactions energy: -27.385 where: short stacking energy: -26.080 Base-Backbone interact. energy: -0.003 local terms energy: -32.507318 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -7.697 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: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -66.018951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.018951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.018951 (E_RNA) where: Base-Base interactions energy: -33.660 where: short stacking energy: -25.452 Base-Backbone interact. energy: -0.001 local terms energy: -32.357634 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.705 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: 4, replica: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -51.889595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.889595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.889595 (E_RNA) where: Base-Base interactions energy: -18.327 where: short stacking energy: -18.327 Base-Backbone interact. energy: -0.000 local terms energy: -33.562601 where: bonds (distance) C4'-P energy: -8.180 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -63.737174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.737174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.737174 (E_RNA) where: Base-Base interactions energy: -31.873 where: short stacking energy: -31.873 Base-Backbone interact. energy: -0.000 local terms energy: -31.863602 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -9.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -52.031020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.031020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.031020 (E_RNA) where: Base-Base interactions energy: -24.075 where: short stacking energy: -24.075 Base-Backbone interact. energy: -0.001 local terms energy: -27.954510 where: bonds (distance) C4'-P energy: -3.006 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -58.295235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.295235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.295235 (E_RNA) where: Base-Base interactions energy: -29.601 where: short stacking energy: -19.530 Base-Backbone interact. energy: -0.003 local terms energy: -28.690769 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -4.534 flat angles C4'-P-C4' energy: -9.290 flat angles P-C4'-P energy: -3.114 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: 8, replica: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -44.774000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.774000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.774000 (E_RNA) where: Base-Base interactions energy: -25.838 where: short stacking energy: -12.484 Base-Backbone interact. energy: -0.047 local terms energy: -18.888749 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -0.990 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -5.658 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: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -38.000292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.000292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.000292 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.129 Base-Backbone interact. energy: -0.012 local terms energy: -27.859398 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.878 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: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -40.170482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.170482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.170482 (E_RNA) where: Base-Base interactions energy: -16.880 where: short stacking energy: -16.880 Base-Backbone interact. energy: -0.196 local terms energy: -23.093740 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -70.629974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.629974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.629974 (E_RNA) where: Base-Base interactions energy: -32.571 where: short stacking energy: -28.300 Base-Backbone interact. energy: -0.000 local terms energy: -38.058851 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -54.873852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.873852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.873852 (E_RNA) where: Base-Base interactions energy: -25.753 where: short stacking energy: -19.026 Base-Backbone interact. energy: -0.084 local terms energy: -29.036805 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -4.403 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: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -62.765705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.765705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.765705 (E_RNA) where: Base-Base interactions energy: -30.620 where: short stacking energy: -30.620 Base-Backbone interact. energy: -0.037 local terms energy: -32.109464 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -57.663954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.663954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.663954 (E_RNA) where: Base-Base interactions energy: -25.900 where: short stacking energy: -25.900 Base-Backbone interact. energy: -0.019 local terms energy: -31.744911 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -3.502 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: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -55.645152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.645152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.645152 (E_RNA) where: Base-Base interactions energy: -23.872 where: short stacking energy: -23.872 Base-Backbone interact. energy: -0.000 local terms energy: -31.772876 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -5.527 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: 6, replica: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -43.651483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.651483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.651483 (E_RNA) where: Base-Base interactions energy: -13.517 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.128 local terms energy: -30.006030 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -49.343139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.343139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.343139 (E_RNA) where: Base-Base interactions energy: -21.168 where: short stacking energy: -21.168 Base-Backbone interact. energy: -0.096 local terms energy: -28.079260 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -2.127 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: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -43.388423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.388423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.388423 (E_RNA) where: Base-Base interactions energy: -16.248 where: short stacking energy: -16.248 Base-Backbone interact. energy: -0.081 local terms energy: -27.059116 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -41.922264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.922264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.922264 (E_RNA) where: Base-Base interactions energy: -14.935 where: short stacking energy: -14.935 Base-Backbone interact. energy: -0.098 local terms energy: -26.888651 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -39.450295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.450295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.450295 (E_RNA) where: Base-Base interactions energy: -11.752 where: short stacking energy: -11.752 Base-Backbone interact. energy: -0.134 local terms energy: -27.564764 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -74.093387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.093387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.093387 (E_RNA) where: Base-Base interactions energy: -35.781 where: short stacking energy: -35.781 Base-Backbone interact. energy: -0.000 local terms energy: -38.311909 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -8.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -76.949132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.949132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.949132 (E_RNA) where: Base-Base interactions energy: -40.637 where: short stacking energy: -26.277 Base-Backbone interact. energy: -0.018 local terms energy: -36.293838 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -9.152 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -6.844 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: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -72.317516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.317516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.317516 (E_RNA) where: Base-Base interactions energy: -33.426 where: short stacking energy: -21.532 Base-Backbone interact. energy: -0.000 local terms energy: -38.890918 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -8.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -53.787597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.787597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.787597 (E_RNA) where: Base-Base interactions energy: -19.901 where: short stacking energy: -19.901 Base-Backbone interact. energy: -0.064 local terms energy: -33.822821 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -52.673492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.673492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.673492 (E_RNA) where: Base-Base interactions energy: -19.221 where: short stacking energy: -19.221 Base-Backbone interact. energy: -0.042 local terms energy: -33.409859 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -47.607573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.607573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.607573 (E_RNA) where: Base-Base interactions energy: -20.012 where: short stacking energy: -20.012 Base-Backbone interact. energy: -0.016 local terms energy: -27.579879 where: bonds (distance) C4'-P energy: -7.894 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -53.416331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.416331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.416331 (E_RNA) where: Base-Base interactions energy: -25.848 where: short stacking energy: -14.310 Base-Backbone interact. energy: -0.065 local terms energy: -27.504020 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -48.345115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.345115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.345115 (E_RNA) where: Base-Base interactions energy: -21.599 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.199 local terms energy: -26.546594 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -4.475 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: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -40.501180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.501180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.501180 (E_RNA) where: Base-Base interactions energy: -14.728 where: short stacking energy: -14.728 Base-Backbone interact. energy: -0.012 local terms energy: -25.761643 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -3.821 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: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -40.926658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.926658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.926658 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.018 local terms energy: -27.049648 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -7.514 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -82.143695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.143695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.143695 (E_RNA) where: Base-Base interactions energy: -46.221 where: short stacking energy: -31.326 Base-Backbone interact. energy: -0.662 local terms energy: -35.260279 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -8.004 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: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -72.415677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.415677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.415677 (E_RNA) where: Base-Base interactions energy: -36.686 where: short stacking energy: -28.412 Base-Backbone interact. energy: -0.004 local terms energy: -35.726226 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -8.689 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: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -72.475797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.475797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.475797 (E_RNA) where: Base-Base interactions energy: -33.833 where: short stacking energy: -21.420 Base-Backbone interact. energy: -0.067 local terms energy: -38.575090 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.746 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -6.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -50.419059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.419059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.419059 (E_RNA) where: Base-Base interactions energy: -21.370 where: short stacking energy: -21.370 Base-Backbone interact. energy: -0.016 local terms energy: -29.032661 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -5.317 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: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -50.632074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.632074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.632074 (E_RNA) where: Base-Base interactions energy: -17.545 where: short stacking energy: -17.545 Base-Backbone interact. energy: -0.032 local terms energy: -33.054275 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -5.379 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: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -51.997943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.997943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.997943 (E_RNA) where: Base-Base interactions energy: -17.686 where: short stacking energy: -17.686 Base-Backbone interact. energy: -0.048 local terms energy: -34.264324 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -51.007654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.007654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.007654 (E_RNA) where: Base-Base interactions energy: -19.229 where: short stacking energy: -19.094 Base-Backbone interact. energy: -0.057 local terms energy: -31.721407 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -41.078418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.078418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.078418 (E_RNA) where: Base-Base interactions energy: -15.072 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.139 local terms energy: -25.867453 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -43.522844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.522844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.522844 (E_RNA) where: Base-Base interactions energy: -20.097 where: short stacking energy: -20.097 Base-Backbone interact. energy: -0.012 local terms energy: -23.414216 where: bonds (distance) C4'-P energy: -5.331 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -43.604337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.604337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.604337 (E_RNA) where: Base-Base interactions energy: -19.067 where: short stacking energy: -17.549 Base-Backbone interact. energy: -0.001 local terms energy: -24.536616 where: bonds (distance) C4'-P energy: -2.911 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -84.560059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.560059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.560059 (E_RNA) where: Base-Base interactions energy: -48.893 where: short stacking energy: -32.600 Base-Backbone interact. energy: -0.064 local terms energy: -35.603499 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -7.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -80.752269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.752269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.752269 (E_RNA) where: Base-Base interactions energy: -46.912 where: short stacking energy: -29.869 Base-Backbone interact. energy: -0.017 local terms energy: -33.823107 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -6.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -59.993207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.993207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.993207 (E_RNA) where: Base-Base interactions energy: -28.036 where: short stacking energy: -19.492 Base-Backbone interact. energy: -0.214 local terms energy: -31.742912 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -5.469 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: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -67.425020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.425020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.425020 (E_RNA) where: Base-Base interactions energy: -33.009 where: short stacking energy: -26.718 Base-Backbone interact. energy: -0.001 local terms energy: -34.415218 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -8.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -47.352956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.352956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.352956 (E_RNA) where: Base-Base interactions energy: -18.275 where: short stacking energy: -17.622 Base-Backbone interact. energy: -0.041 local terms energy: -29.037534 where: bonds (distance) C4'-P energy: -6.242 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -51.553545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.553545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.553545 (E_RNA) where: Base-Base interactions energy: -21.652 where: short stacking energy: -21.652 Base-Backbone interact. energy: -0.031 local terms energy: -29.870388 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -3.891 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: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -57.425941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.425941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.425941 (E_RNA) where: Base-Base interactions energy: -27.278 where: short stacking energy: -27.278 Base-Backbone interact. energy: -0.000 local terms energy: -30.147694 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -7.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -54.052815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.052815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.052815 (E_RNA) where: Base-Base interactions energy: -24.339 where: short stacking energy: -24.339 Base-Backbone interact. energy: -0.000 local terms energy: -29.713734 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -1.036 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: 9, replica: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -46.242091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.242091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.242091 (E_RNA) where: Base-Base interactions energy: -22.704 where: short stacking energy: -22.704 Base-Backbone interact. energy: -0.001 local terms energy: -23.537330 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -44.108120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.108120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.108120 (E_RNA) where: Base-Base interactions energy: -15.394 where: short stacking energy: -12.292 Base-Backbone interact. energy: -0.074 local terms energy: -28.639721 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -81.335765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.335765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.335765 (E_RNA) where: Base-Base interactions energy: -43.218 where: short stacking energy: -27.424 Base-Backbone interact. energy: -2.500 local terms energy: -35.617381 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -7.433 tors. eta vs tors. theta energy: -7.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -86.266740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.266740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.266740 (E_RNA) where: Base-Base interactions energy: -49.304 where: short stacking energy: -28.585 Base-Backbone interact. energy: -0.842 local terms energy: -36.121149 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -7.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -62.613828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.613828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.613828 (E_RNA) where: Base-Base interactions energy: -24.305 where: short stacking energy: -21.600 Base-Backbone interact. energy: -0.000 local terms energy: -38.309135 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -56.021846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.021846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.021846 (E_RNA) where: Base-Base interactions energy: -28.164 where: short stacking energy: -23.905 Base-Backbone interact. energy: -0.002 local terms energy: -27.855214 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -2.710 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -2.360 tors. eta vs tors. theta energy: -7.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -46.256044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.256044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.256044 (E_RNA) where: Base-Base interactions energy: -20.435 where: short stacking energy: -14.797 Base-Backbone interact. energy: -0.283 local terms energy: -25.538427 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -1.811 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -54.905143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.905143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.905143 (E_RNA) where: Base-Base interactions energy: -20.876 where: short stacking energy: -20.876 Base-Backbone interact. energy: -0.021 local terms energy: -34.008091 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -49.910820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.910820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.910820 (E_RNA) where: Base-Base interactions energy: -23.000 where: short stacking energy: -22.283 Base-Backbone interact. energy: -0.007 local terms energy: -26.903253 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.413 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: 8, replica: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -47.388016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.388016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.388016 (E_RNA) where: Base-Base interactions energy: -21.424 where: short stacking energy: -21.424 Base-Backbone interact. energy: -0.000 local terms energy: -25.964026 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -47.009556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.009556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.009556 (E_RNA) where: Base-Base interactions energy: -17.368 where: short stacking energy: -17.368 Base-Backbone interact. energy: -0.009 local terms energy: -29.632794 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -6.921 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -41.123061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.123061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.123061 (E_RNA) where: Base-Base interactions energy: -13.979 where: short stacking energy: -13.979 Base-Backbone interact. energy: -0.024 local terms energy: -27.120174 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -5.427 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: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -67.751738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.751738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.751738 (E_RNA) where: Base-Base interactions energy: -35.565 where: short stacking energy: -26.451 Base-Backbone interact. energy: -0.001 local terms energy: -32.186553 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -67.645764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.645764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.645764 (E_RNA) where: Base-Base interactions energy: -29.797 where: short stacking energy: -29.575 Base-Backbone interact. energy: -0.000 local terms energy: -37.848768 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -8.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -59.582801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.582801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.582801 (E_RNA) where: Base-Base interactions energy: -23.673 where: short stacking energy: -23.673 Base-Backbone interact. energy: -0.001 local terms energy: -35.908050 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -5.013 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: 163 Temperature: 1.050000 Total energy: -55.684462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.684462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.684462 (E_RNA) where: Base-Base interactions energy: -21.392 where: short stacking energy: -21.392 Base-Backbone interact. energy: -0.305 local terms energy: -33.987941 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -6.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -59.712230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.712230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.712230 (E_RNA) where: Base-Base interactions energy: -28.730 where: short stacking energy: -20.151 Base-Backbone interact. energy: -0.002 local terms energy: -30.980259 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -54.585529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.585529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.585529 (E_RNA) where: Base-Base interactions energy: -22.855 where: short stacking energy: -22.855 Base-Backbone interact. energy: -0.001 local terms energy: -31.730011 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.841 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -42.716906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.716906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.716906 (E_RNA) where: Base-Base interactions energy: -15.883 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.064 local terms energy: -26.769469 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -45.873741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.873741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.873741 (E_RNA) where: Base-Base interactions energy: -15.064 where: short stacking energy: -15.064 Base-Backbone interact. energy: 0.175 local terms energy: -30.984256 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.414 flat angles P-C4'-P energy: -4.223 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: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -45.217213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.217213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.217213 (E_RNA) where: Base-Base interactions energy: -24.779 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.145 local terms energy: -20.292887 where: bonds (distance) C4'-P energy: -2.004 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -3.496 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: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -39.378252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.378252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.378252 (E_RNA) where: Base-Base interactions energy: -13.095 where: short stacking energy: -12.533 Base-Backbone interact. energy: -0.002 local terms energy: -26.281354 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -2.537 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: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -64.676833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.676833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.676833 (E_RNA) where: Base-Base interactions energy: -26.829 where: short stacking energy: -23.840 Base-Backbone interact. energy: -0.870 local terms energy: -36.977201 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -6.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -65.104368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.104368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.104368 (E_RNA) where: Base-Base interactions energy: -29.975 where: short stacking energy: -24.541 Base-Backbone interact. energy: -0.003 local terms energy: -35.126235 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -51.941185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.941185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.941185 (E_RNA) where: Base-Base interactions energy: -20.216 where: short stacking energy: -20.216 Base-Backbone interact. energy: -0.095 local terms energy: -31.630219 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -8.401 flat angles P-C4'-P energy: -4.712 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: 4, replica: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -60.189237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.189237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.189237 (E_RNA) where: Base-Base interactions energy: -25.390 where: short stacking energy: -25.390 Base-Backbone interact. energy: -0.001 local terms energy: -34.798246 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -4.304 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: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -48.166419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.166419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.166419 (E_RNA) where: Base-Base interactions energy: -19.850 where: short stacking energy: -19.739 Base-Backbone interact. energy: -0.095 local terms energy: -28.222223 where: bonds (distance) C4'-P energy: -3.436 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -6.586 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: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -48.064343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.064343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.064343 (E_RNA) where: Base-Base interactions energy: -18.124 where: short stacking energy: -13.001 Base-Backbone interact. energy: -0.100 local terms energy: -29.840201 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -43.796957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.796957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.796957 (E_RNA) where: Base-Base interactions energy: -13.335 where: short stacking energy: -13.335 Base-Backbone interact. energy: -0.077 local terms energy: -30.384806 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -48.302033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.302033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.302033 (E_RNA) where: Base-Base interactions energy: -22.603 where: short stacking energy: -21.302 Base-Backbone interact. energy: -0.002 local terms energy: -25.697340 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -1.782 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: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -42.590411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.590411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.590411 (E_RNA) where: Base-Base interactions energy: -17.336 where: short stacking energy: -17.336 Base-Backbone interact. energy: 0.167 local terms energy: -25.421268 where: bonds (distance) C4'-P energy: -7.352 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -45.409313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.409313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.409313 (E_RNA) where: Base-Base interactions energy: -15.415 where: short stacking energy: -14.323 Base-Backbone interact. energy: -0.104 local terms energy: -29.889996 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -5.541 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: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -64.940941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.940941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.940941 (E_RNA) where: Base-Base interactions energy: -31.150 where: short stacking energy: -31.150 Base-Backbone interact. energy: -0.000 local terms energy: -33.790748 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -6.085 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -6.802 tors. eta vs tors. theta energy: -7.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -55.435798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.435798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.435798 (E_RNA) where: Base-Base interactions energy: -23.833 where: short stacking energy: -20.072 Base-Backbone interact. energy: -0.102 local terms energy: -31.500732 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -6.295 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: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -55.879340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.879340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.879340 (E_RNA) where: Base-Base interactions energy: -21.392 where: short stacking energy: -21.392 Base-Backbone interact. energy: -0.000 local terms energy: -34.487401 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -8.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -54.468425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.468425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.468425 (E_RNA) where: Base-Base interactions energy: -22.231 where: short stacking energy: -21.187 Base-Backbone interact. energy: -0.001 local terms energy: -32.236415 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -6.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -56.498281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.498281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.498281 (E_RNA) where: Base-Base interactions energy: -25.631 where: short stacking energy: -25.631 Base-Backbone interact. energy: -0.000 local terms energy: -30.867219 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -57.603598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.603598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.603598 (E_RNA) where: Base-Base interactions energy: -31.712 where: short stacking energy: -31.712 Base-Backbone interact. energy: -0.005 local terms energy: -25.886780 where: bonds (distance) C4'-P energy: -3.121 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -7.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -51.508337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.508337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.508337 (E_RNA) where: Base-Base interactions energy: -18.067 where: short stacking energy: -13.899 Base-Backbone interact. energy: -0.001 local terms energy: -33.439484 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -40.485636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.485636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.485636 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.885 Base-Backbone interact. energy: 0.088 local terms energy: -26.687978 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -4.321 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: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -43.095031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.095031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.095031 (E_RNA) where: Base-Base interactions energy: -15.486 where: short stacking energy: -15.486 Base-Backbone interact. energy: -0.002 local terms energy: -27.606893 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -7.723 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -41.297607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.297607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.297607 (E_RNA) where: Base-Base interactions energy: -12.254 where: short stacking energy: -12.254 Base-Backbone interact. energy: -0.215 local terms energy: -28.829186 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -59.389291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.389291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.389291 (E_RNA) where: Base-Base interactions energy: -25.078 where: short stacking energy: -18.818 Base-Backbone interact. energy: -0.012 local terms energy: -34.298905 where: bonds (distance) C4'-P energy: -6.884 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.996 flat angles P-C4'-P energy: -6.822 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: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -60.158707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.158707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.158707 (E_RNA) where: Base-Base interactions energy: -25.329 where: short stacking energy: -25.329 Base-Backbone interact. energy: -0.002 local terms energy: -34.827823 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -4.356 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: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -60.006649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.006649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.006649 (E_RNA) where: Base-Base interactions energy: -26.301 where: short stacking energy: -21.649 Base-Backbone interact. energy: -0.096 local terms energy: -33.609212 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -58.587050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.587050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.587050 (E_RNA) where: Base-Base interactions energy: -29.201 where: short stacking energy: -25.006 Base-Backbone interact. energy: -0.120 local terms energy: -29.266655 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.176 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -54.490300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.490300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.490300 (E_RNA) where: Base-Base interactions energy: -23.360 where: short stacking energy: -19.035 Base-Backbone interact. energy: -0.000 local terms energy: -31.130567 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -5.660 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: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -63.860280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.860280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.860280 (E_RNA) where: Base-Base interactions energy: -29.072 where: short stacking energy: -15.693 Base-Backbone interact. energy: -1.082 local terms energy: -33.706041 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -45.571147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.571147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.571147 (E_RNA) where: Base-Base interactions energy: -16.983 where: short stacking energy: -16.983 Base-Backbone interact. energy: -0.021 local terms energy: -28.566355 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -48.106447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.106447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.106447 (E_RNA) where: Base-Base interactions energy: -19.029 where: short stacking energy: -11.482 Base-Backbone interact. energy: -0.037 local terms energy: -29.040807 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -48.033182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.033182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.033182 (E_RNA) where: Base-Base interactions energy: -17.619 where: short stacking energy: -17.619 Base-Backbone interact. energy: -0.045 local terms energy: -30.369831 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -48.675641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.675641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.675641 (E_RNA) where: Base-Base interactions energy: -20.790 where: short stacking energy: -20.790 Base-Backbone interact. energy: -0.000 local terms energy: -27.885829 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -5.577 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: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -60.004252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.004252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.004252 (E_RNA) where: Base-Base interactions energy: -23.533 where: short stacking energy: -23.533 Base-Backbone interact. energy: -0.081 local terms energy: -36.390484 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -8.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -61.098829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.098829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.098829 (E_RNA) where: Base-Base interactions energy: -33.977 where: short stacking energy: -23.653 Base-Backbone interact. energy: -0.001 local terms energy: -27.120054 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -1.195 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -55.801877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.801877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.801877 (E_RNA) where: Base-Base interactions energy: -24.578 where: short stacking energy: -7.386 Base-Backbone interact. energy: -1.535 local terms energy: -29.689786 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -3.796 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: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -53.297443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.297443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.297443 (E_RNA) where: Base-Base interactions energy: -27.139 where: short stacking energy: -23.697 Base-Backbone interact. energy: -0.001 local terms energy: -26.157232 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -5.112 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: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -48.607440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.607440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.607440 (E_RNA) where: Base-Base interactions energy: -17.910 where: short stacking energy: -17.910 Base-Backbone interact. energy: -0.030 local terms energy: -30.667914 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -53.693097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.693097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.693097 (E_RNA) where: Base-Base interactions energy: -26.958 where: short stacking energy: -26.958 Base-Backbone interact. energy: -0.000 local terms energy: -26.734612 where: bonds (distance) C4'-P energy: -4.736 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -5.622 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: 7, replica: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -43.146685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.146685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.146685 (E_RNA) where: Base-Base interactions energy: -19.763 where: short stacking energy: -19.763 Base-Backbone interact. energy: -0.011 local terms energy: -23.372488 where: bonds (distance) C4'-P energy: -1.353 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -53.143657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.143657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.143657 (E_RNA) where: Base-Base interactions energy: -24.117 where: short stacking energy: -20.760 Base-Backbone interact. energy: -0.002 local terms energy: -29.024806 where: bonds (distance) C4'-P energy: -5.654 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -8.416 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -43.142418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.142418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.142418 (E_RNA) where: Base-Base interactions energy: -11.883 where: short stacking energy: -10.486 Base-Backbone interact. energy: -0.001 local terms energy: -31.258540 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.705 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -41.191091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.191091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.191091 (E_RNA) where: Base-Base interactions energy: -17.382 where: short stacking energy: -17.382 Base-Backbone interact. energy: -0.001 local terms energy: -23.808671 where: bonds (distance) C4'-P energy: -3.730 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -2.335 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: 4 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -59.339338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.339338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.339338 (E_RNA) where: Base-Base interactions energy: -24.417 where: short stacking energy: -24.417 Base-Backbone interact. energy: -0.000 local terms energy: -34.921811 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -59.665238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.665238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.665238 (E_RNA) where: Base-Base interactions energy: -24.306 where: short stacking energy: -24.306 Base-Backbone interact. energy: -0.043 local terms energy: -35.316231 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -65.509304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.509304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.509304 (E_RNA) where: Base-Base interactions energy: -31.283 where: short stacking energy: -24.020 Base-Backbone interact. energy: -0.000 local terms energy: -34.226566 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -49.440846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.440846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.440846 (E_RNA) where: Base-Base interactions energy: -20.233 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.038 local terms energy: -29.170391 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -58.205082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.205082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.205082 (E_RNA) where: Base-Base interactions energy: -27.875 where: short stacking energy: -20.042 Base-Backbone interact. energy: -0.564 local terms energy: -29.766108 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -6.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -47.193629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.193629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.193629 (E_RNA) where: Base-Base interactions energy: -17.914 where: short stacking energy: -17.914 Base-Backbone interact. energy: 0.640 local terms energy: -29.919039 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -3.055 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: 168 Temperature: 1.200000 Total energy: -49.174999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.174999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.174999 (E_RNA) where: Base-Base interactions energy: -22.390 where: short stacking energy: -22.390 Base-Backbone interact. energy: -0.000 local terms energy: -26.784754 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -5.893 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -5.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -46.842401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.842401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.842401 (E_RNA) where: Base-Base interactions energy: -18.609 where: short stacking energy: -18.609 Base-Backbone interact. energy: -0.001 local terms energy: -28.231970 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.106 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -45.132555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.132555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.132555 (E_RNA) where: Base-Base interactions energy: -13.598 where: short stacking energy: -13.210 Base-Backbone interact. energy: -0.172 local terms energy: -31.363047 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.823 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: 0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -47.115749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.115749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.115749 (E_RNA) where: Base-Base interactions energy: -19.961 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.001 local terms energy: -27.153080 where: bonds (distance) C4'-P energy: -5.886 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -64.367948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.367948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.367948 (E_RNA) where: Base-Base interactions energy: -26.799 where: short stacking energy: -26.799 Base-Backbone interact. energy: -0.000 local terms energy: -37.568567 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -9.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -64.261824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.261824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.261824 (E_RNA) where: Base-Base interactions energy: -29.477 where: short stacking energy: -19.116 Base-Backbone interact. energy: -0.004 local terms energy: -34.781087 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -62.464849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.464849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.464849 (E_RNA) where: Base-Base interactions energy: -26.633 where: short stacking energy: -26.633 Base-Backbone interact. energy: -0.005 local terms energy: -35.826548 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -4.685 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: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -62.199599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.199599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.199599 (E_RNA) where: Base-Base interactions energy: -28.565 where: short stacking energy: -28.565 Base-Backbone interact. energy: -0.005 local terms energy: -33.630112 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -6.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -63.038740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.038740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.038740 (E_RNA) where: Base-Base interactions energy: -30.624 where: short stacking energy: -27.474 Base-Backbone interact. energy: -0.102 local terms energy: -32.313479 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -52.630054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.630054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.630054 (E_RNA) where: Base-Base interactions energy: -19.879 where: short stacking energy: -19.879 Base-Backbone interact. energy: -0.050 local terms energy: -32.701667 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -5.247 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: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -44.753066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.753066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.753066 (E_RNA) where: Base-Base interactions energy: -11.985 where: short stacking energy: -11.985 Base-Backbone interact. energy: -0.122 local terms energy: -32.646406 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -47.234780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.234780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.234780 (E_RNA) where: Base-Base interactions energy: -16.585 where: short stacking energy: -16.585 Base-Backbone interact. energy: -0.014 local terms energy: -30.635191 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -2.802 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -48.482619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.482619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.482619 (E_RNA) where: Base-Base interactions energy: -21.094 where: short stacking energy: -15.860 Base-Backbone interact. energy: -0.003 local terms energy: -27.385579 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -6.996 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -3.749 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: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -41.419754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.419754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.419754 (E_RNA) where: Base-Base interactions energy: -17.335 where: short stacking energy: -12.442 Base-Backbone interact. energy: 0.546 local terms energy: -24.631103 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -5.357 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: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -55.383742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.383742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.383742 (E_RNA) where: Base-Base interactions energy: -24.331 where: short stacking energy: -19.768 Base-Backbone interact. energy: -0.012 local terms energy: -31.039824 where: bonds (distance) C4'-P energy: -3.469 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -5.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -65.326631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.326631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.326631 (E_RNA) where: Base-Base interactions energy: -30.722 where: short stacking energy: -30.722 Base-Backbone interact. energy: -0.000 local terms energy: -34.604491 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -3.590 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: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -50.536212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.536212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.536212 (E_RNA) where: Base-Base interactions energy: -20.174 where: short stacking energy: -20.174 Base-Backbone interact. energy: -0.036 local terms energy: -30.326631 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -66.225535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.225535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.225535 (E_RNA) where: Base-Base interactions energy: -30.883 where: short stacking energy: -27.608 Base-Backbone interact. energy: -0.000 local terms energy: -35.342825 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -4.119 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: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -50.957473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.957473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.957473 (E_RNA) where: Base-Base interactions energy: -17.855 where: short stacking energy: -17.855 Base-Backbone interact. energy: -0.133 local terms energy: -32.969239 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -5.397 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -7.830 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: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -48.925297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.925297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.925297 (E_RNA) where: Base-Base interactions energy: -18.523 where: short stacking energy: -17.115 Base-Backbone interact. energy: -0.006 local terms energy: -30.396004 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -51.294293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.294293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.294293 (E_RNA) where: Base-Base interactions energy: -20.674 where: short stacking energy: -20.674 Base-Backbone interact. energy: -0.042 local terms energy: -30.578528 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -42.421569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.421569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.421569 (E_RNA) where: Base-Base interactions energy: -17.891 where: short stacking energy: -8.887 Base-Backbone interact. energy: -0.267 local terms energy: -24.263838 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -1.488 tors. eta vs tors. theta energy: -1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -48.545131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.545131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.545131 (E_RNA) where: Base-Base interactions energy: -19.708 where: short stacking energy: -8.402 Base-Backbone interact. energy: -0.379 local terms energy: -28.458521 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -44.419460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.419460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.419460 (E_RNA) where: Base-Base interactions energy: -17.073 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.008 local terms energy: -27.338498 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: 0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -71.430590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.430590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.430590 (E_RNA) where: Base-Base interactions energy: -38.237 where: short stacking energy: -27.564 Base-Backbone interact. energy: -0.039 local terms energy: -33.155178 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -5.705 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: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -65.209251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.209251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.209251 (E_RNA) where: Base-Base interactions energy: -32.994 where: short stacking energy: -22.166 Base-Backbone interact. energy: -0.003 local terms energy: -32.212284 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.813 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: 3, replica: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -56.619110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.619110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.619110 (E_RNA) where: Base-Base interactions energy: -25.547 where: short stacking energy: -25.547 Base-Backbone interact. energy: -0.040 local terms energy: -31.032023 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -4.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -64.355215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.355215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.355215 (E_RNA) where: Base-Base interactions energy: -28.439 where: short stacking energy: -28.145 Base-Backbone interact. energy: -0.000 local terms energy: -35.915714 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -5.481 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: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -58.688520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.688520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.688520 (E_RNA) where: Base-Base interactions energy: -24.671 where: short stacking energy: -21.675 Base-Backbone interact. energy: -0.824 local terms energy: -33.192827 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -5.976 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: 6, replica: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -74.562230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.562230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.562230 (E_RNA) where: Base-Base interactions energy: -43.559 where: short stacking energy: -22.897 Base-Backbone interact. energy: -0.005 local terms energy: -30.998293 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -48.567538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.567538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.567538 (E_RNA) where: Base-Base interactions energy: -16.079 where: short stacking energy: -16.079 Base-Backbone interact. energy: -0.000 local terms energy: -32.488024 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -5.456 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: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -41.175922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.175922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.175922 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -10.802 Base-Backbone interact. energy: -0.198 local terms energy: -29.851415 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -43.202197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.202197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.202197 (E_RNA) where: Base-Base interactions energy: -17.101 where: short stacking energy: -6.322 Base-Backbone interact. energy: -0.127 local terms energy: -25.974191 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -4.533 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: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -38.643738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.643738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.643738 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.117 local terms energy: -30.393856 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -66.428314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.428314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.428314 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -20.961 Base-Backbone interact. energy: -0.000 local terms energy: -36.226259 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -64.962800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.962800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.962800 (E_RNA) where: Base-Base interactions energy: -29.657 where: short stacking energy: -29.657 Base-Backbone interact. energy: -0.000 local terms energy: -35.305479 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -6.837 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: 3, replica: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -54.172755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.172755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.172755 (E_RNA) where: Base-Base interactions energy: -21.988 where: short stacking energy: -21.147 Base-Backbone interact. energy: -0.013 local terms energy: -32.172328 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -3.691 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: 4, replica: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -56.368300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.368300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.368300 (E_RNA) where: Base-Base interactions energy: -23.838 where: short stacking energy: -23.838 Base-Backbone interact. energy: -0.000 local terms energy: -32.529675 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -51.347500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.347500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.347500 (E_RNA) where: Base-Base interactions energy: -23.051 where: short stacking energy: -14.745 Base-Backbone interact. energy: -0.022 local terms energy: -28.274186 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -56.011294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.011294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.011294 (E_RNA) where: Base-Base interactions energy: -26.501 where: short stacking energy: -26.501 Base-Backbone interact. energy: -0.000 local terms energy: -29.509934 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -4.296 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -6.347 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: 7, replica: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -47.252945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.252945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.252945 (E_RNA) where: Base-Base interactions energy: -16.085 where: short stacking energy: -16.085 Base-Backbone interact. energy: -0.008 local terms energy: -31.159846 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -3.082 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: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -48.495441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.495441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.495441 (E_RNA) where: Base-Base interactions energy: -24.923 where: short stacking energy: -24.311 Base-Backbone interact. energy: -0.017 local terms energy: -23.555943 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -4.834 flat angles C4'-P-C4' energy: -2.807 flat angles P-C4'-P energy: -4.196 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: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -49.290668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.290668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.290668 (E_RNA) where: Base-Base interactions energy: -16.623 where: short stacking energy: -15.767 Base-Backbone interact. energy: -0.000 local terms energy: -32.667216 where: bonds (distance) C4'-P energy: -5.472 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -4.725 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: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -45.973806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.973806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.973806 (E_RNA) where: Base-Base interactions energy: -18.045 where: short stacking energy: -18.045 Base-Backbone interact. energy: -0.000 local terms energy: -27.928825 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -6.768 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: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -67.662043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.662043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.662043 (E_RNA) where: Base-Base interactions energy: -30.735 where: short stacking energy: -30.735 Base-Backbone interact. energy: -0.000 local terms energy: -36.926627 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -9.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -57.936971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.936971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.936971 (E_RNA) where: Base-Base interactions energy: -24.245 where: short stacking energy: -24.245 Base-Backbone interact. energy: -0.005 local terms energy: -33.686031 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -4.702 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: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -51.705765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.705765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.705765 (E_RNA) where: Base-Base interactions energy: -18.201 where: short stacking energy: -18.201 Base-Backbone interact. energy: -0.000 local terms energy: -33.504587 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -4.989 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -53.783952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.783952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.783952 (E_RNA) where: Base-Base interactions energy: -25.627 where: short stacking energy: -24.468 Base-Backbone interact. energy: -0.003 local terms energy: -28.154443 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -67.232845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.232845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.232845 (E_RNA) where: Base-Base interactions energy: -26.695 where: short stacking energy: -26.695 Base-Backbone interact. energy: -0.000 local terms energy: -40.537956 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -10.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -44.812401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.812401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.812401 (E_RNA) where: Base-Base interactions energy: -17.602 where: short stacking energy: -17.602 Base-Backbone interact. energy: -0.097 local terms energy: -27.112898 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -46.005051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.005051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.005051 (E_RNA) where: Base-Base interactions energy: -15.687 where: short stacking energy: -15.687 Base-Backbone interact. energy: 0.075 local terms energy: -30.393151 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -54.412954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.412954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.412954 (E_RNA) where: Base-Base interactions energy: -23.950 where: short stacking energy: -18.821 Base-Backbone interact. energy: -0.118 local terms energy: -30.345258 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -46.317620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.317620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.317620 (E_RNA) where: Base-Base interactions energy: -13.577 where: short stacking energy: -13.677 Base-Backbone interact. energy: -0.000 local terms energy: -32.740472 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -36.409640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.409640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.409640 (E_RNA) where: Base-Base interactions energy: -16.487 where: short stacking energy: -16.487 Base-Backbone interact. energy: -0.057 local terms energy: -19.865203 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -3.914 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -1.484 tors. eta vs tors. theta energy: 1.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -69.061201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.061201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.061201 (E_RNA) where: Base-Base interactions energy: -31.030 where: short stacking energy: -30.772 Base-Backbone interact. energy: -0.001 local terms energy: -38.030676 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -9.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -58.830935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.830935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.830935 (E_RNA) where: Base-Base interactions energy: -29.151 where: short stacking energy: -27.092 Base-Backbone interact. energy: -0.002 local terms energy: -29.678248 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -5.176 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: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -53.865936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.865936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.865936 (E_RNA) where: Base-Base interactions energy: -22.083 where: short stacking energy: -22.083 Base-Backbone interact. energy: -0.000 local terms energy: -31.782798 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.870 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -5.464 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: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -60.310033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.310033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.310033 (E_RNA) where: Base-Base interactions energy: -26.652 where: short stacking energy: -26.652 Base-Backbone interact. energy: -0.020 local terms energy: -33.637565 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -53.099726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.099726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.099726 (E_RNA) where: Base-Base interactions energy: -24.519 where: short stacking energy: -24.519 Base-Backbone interact. energy: -0.000 local terms energy: -28.580682 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -2.952 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -46.757372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.757372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.757372 (E_RNA) where: Base-Base interactions energy: -19.333 where: short stacking energy: -19.333 Base-Backbone interact. energy: -0.134 local terms energy: -27.290989 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -2.763 flat angles P-C4'-P energy: -6.652 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: 7, replica: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -53.528849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.528849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.528849 (E_RNA) where: Base-Base interactions energy: -17.509 where: short stacking energy: -17.509 Base-Backbone interact. energy: -0.003 local terms energy: -36.017086 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -44.423088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.423088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.423088 (E_RNA) where: Base-Base interactions energy: -15.097 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.001 local terms energy: -29.325053 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -3.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -44.637156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.637156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.637156 (E_RNA) where: Base-Base interactions energy: -14.048 where: short stacking energy: -14.048 Base-Backbone interact. energy: -0.011 local terms energy: -30.577779 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -43.471739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.471739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.471739 (E_RNA) where: Base-Base interactions energy: -19.510 where: short stacking energy: -19.510 Base-Backbone interact. energy: -0.001 local terms energy: -23.961515 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -76.183583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.183583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.183583 (E_RNA) where: Base-Base interactions energy: -30.939 where: short stacking energy: -30.939 Base-Backbone interact. energy: -0.000 local terms energy: -45.245050 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -9.286 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -12.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -66.348677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.348677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.348677 (E_RNA) where: Base-Base interactions energy: -28.587 where: short stacking energy: -28.587 Base-Backbone interact. energy: -0.000 local terms energy: -37.761579 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -59.791723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.791723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.791723 (E_RNA) where: Base-Base interactions energy: -22.979 where: short stacking energy: -22.979 Base-Backbone interact. energy: -0.001 local terms energy: -36.811649 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -5.894 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: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -61.305540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.305540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.305540 (E_RNA) where: Base-Base interactions energy: -27.931 where: short stacking energy: -27.931 Base-Backbone interact. energy: -0.005 local terms energy: -33.369645 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -3.970 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -8.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -52.443948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.443948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.443948 (E_RNA) where: Base-Base interactions energy: -21.778 where: short stacking energy: -21.778 Base-Backbone interact. energy: -0.008 local terms energy: -30.657228 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -46.167509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.167509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.167509 (E_RNA) where: Base-Base interactions energy: -16.688 where: short stacking energy: -16.688 Base-Backbone interact. energy: -0.006 local terms energy: -29.473503 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -3.030 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -62.066489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.066489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.066489 (E_RNA) where: Base-Base interactions energy: -30.407 where: short stacking energy: -30.407 Base-Backbone interact. energy: -0.000 local terms energy: -31.659383 where: bonds (distance) C4'-P energy: -3.840 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -8.882 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: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -44.309049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.309049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.309049 (E_RNA) where: Base-Base interactions energy: -16.182 where: short stacking energy: -14.566 Base-Backbone interact. energy: -0.010 local terms energy: -28.117321 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -2.748 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: 9, replica: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -44.692657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.692657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.692657 (E_RNA) where: Base-Base interactions energy: -16.271 where: short stacking energy: -16.271 Base-Backbone interact. energy: -0.013 local terms energy: -28.408800 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -3.933 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: 10, replica: 6 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -39.535042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.535042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.535042 (E_RNA) where: Base-Base interactions energy: -12.742 where: short stacking energy: -12.266 Base-Backbone interact. energy: 0.257 local terms energy: -27.049795 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -3.807 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: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -75.845186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.845186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.845186 (E_RNA) where: Base-Base interactions energy: -35.132 where: short stacking energy: -35.132 Base-Backbone interact. energy: -0.000 local terms energy: -40.713211 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -11.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -58.217805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.217805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.217805 (E_RNA) where: Base-Base interactions energy: -23.175 where: short stacking energy: -23.175 Base-Backbone interact. energy: -0.000 local terms energy: -35.041881 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -9.083 flat angles P-C4'-P energy: -6.710 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: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -61.717300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.717300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.717300 (E_RNA) where: Base-Base interactions energy: -26.835 where: short stacking energy: -26.835 Base-Backbone interact. energy: -0.000 local terms energy: -34.882638 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -1.870 tors. eta vs tors. theta energy: -10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -52.458902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.458902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.458902 (E_RNA) where: Base-Base interactions energy: -22.578 where: short stacking energy: -22.578 Base-Backbone interact. energy: -0.005 local terms energy: -29.875367 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -1.994 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -56.515285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.515285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.515285 (E_RNA) where: Base-Base interactions energy: -22.313 where: short stacking energy: -22.313 Base-Backbone interact. energy: -0.016 local terms energy: -34.185850 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -50.099687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.099687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.099687 (E_RNA) where: Base-Base interactions energy: -22.938 where: short stacking energy: -12.892 Base-Backbone interact. energy: -0.132 local terms energy: -27.029695 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -48.042455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.042455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.042455 (E_RNA) where: Base-Base interactions energy: -17.834 where: short stacking energy: -17.834 Base-Backbone interact. energy: -0.002 local terms energy: -30.206041 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -50.505360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.505360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.505360 (E_RNA) where: Base-Base interactions energy: -20.214 where: short stacking energy: -20.214 Base-Backbone interact. energy: -0.002 local terms energy: -30.289816 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -49.143949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.143949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.143949 (E_RNA) where: Base-Base interactions energy: -20.442 where: short stacking energy: -20.442 Base-Backbone interact. energy: -0.016 local terms energy: -28.685788 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -45.428328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.428328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.428328 (E_RNA) where: Base-Base interactions energy: -13.156 where: short stacking energy: -13.156 Base-Backbone interact. energy: -0.046 local terms energy: -32.226260 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -74.957133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.957133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.957133 (E_RNA) where: Base-Base interactions energy: -36.528 where: short stacking energy: -36.528 Base-Backbone interact. energy: -0.000 local terms energy: -38.429397 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -10.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -69.064118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.064118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.064118 (E_RNA) where: Base-Base interactions energy: -42.343 where: short stacking energy: -22.231 Base-Backbone interact. energy: -0.007 local terms energy: -26.714061 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -2.970 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: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -62.104711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.104711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.104711 (E_RNA) where: Base-Base interactions energy: -29.713 where: short stacking energy: -19.148 Base-Backbone interact. energy: -0.020 local terms energy: -32.372382 where: bonds (distance) C4'-P energy: -7.182 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -6.611 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: 4, replica: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -51.326523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.326523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.326523 (E_RNA) where: Base-Base interactions energy: -20.072 where: short stacking energy: -20.072 Base-Backbone interact. energy: -0.064 local terms energy: -31.190328 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -0.304 tors. eta vs tors. theta energy: -5.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -59.643815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.643815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.643815 (E_RNA) where: Base-Base interactions energy: -29.810 where: short stacking energy: -16.662 Base-Backbone interact. energy: -0.087 local terms energy: -29.746972 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -5.279 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: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -52.496281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.496281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.496281 (E_RNA) where: Base-Base interactions energy: -23.779 where: short stacking energy: -15.393 Base-Backbone interact. energy: -0.008 local terms energy: -28.709786 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -6.235 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: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -51.248207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.248207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.248207 (E_RNA) where: Base-Base interactions energy: -20.312 where: short stacking energy: -10.350 Base-Backbone interact. energy: -0.008 local terms energy: -30.928523 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -5.007 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: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -40.824481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.824481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.824481 (E_RNA) where: Base-Base interactions energy: -15.789 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.004 local terms energy: -25.030916 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.349 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -1.775 tors. eta vs tors. theta energy: -7.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -47.343266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.343266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.343266 (E_RNA) where: Base-Base interactions energy: -16.296 where: short stacking energy: -16.296 Base-Backbone interact. energy: -0.016 local terms energy: -31.030743 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -46.192319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.192319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.192319 (E_RNA) where: Base-Base interactions energy: -21.799 where: short stacking energy: -21.799 Base-Backbone interact. energy: -0.000 local terms energy: -24.393495 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -3.917 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: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -78.196163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.196163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.196163 (E_RNA) where: Base-Base interactions energy: -40.717 where: short stacking energy: -27.595 Base-Backbone interact. energy: -0.005 local terms energy: -37.473571 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -63.254952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.254952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.254952 (E_RNA) where: Base-Base interactions energy: -28.020 where: short stacking energy: -25.907 Base-Backbone interact. energy: -0.002 local terms energy: -35.232646 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -6.700 tors. eta vs tors. theta energy: -8.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -63.885701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.885701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.885701 (E_RNA) where: Base-Base interactions energy: -27.443 where: short stacking energy: -24.620 Base-Backbone interact. energy: -0.160 local terms energy: -36.282462 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -5.575 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: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -51.182898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.182898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.182898 (E_RNA) where: Base-Base interactions energy: -21.242 where: short stacking energy: -17.088 Base-Backbone interact. energy: -0.005 local terms energy: -29.935379 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -51.527933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.527933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.527933 (E_RNA) where: Base-Base interactions energy: -22.241 where: short stacking energy: -9.993 Base-Backbone interact. energy: -0.710 local terms energy: -28.576769 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: 2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -50.802527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.802527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.802527 (E_RNA) where: Base-Base interactions energy: -16.743 where: short stacking energy: -16.743 Base-Backbone interact. energy: -0.090 local terms energy: -33.969360 where: bonds (distance) C4'-P energy: -6.772 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -44.578631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.578631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.578631 (E_RNA) where: Base-Base interactions energy: -12.997 where: short stacking energy: -12.997 Base-Backbone interact. energy: -0.024 local terms energy: -31.557106 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -3.000 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: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -47.320898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.320898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.320898 (E_RNA) where: Base-Base interactions energy: -15.676 where: short stacking energy: -15.676 Base-Backbone interact. energy: -0.066 local terms energy: -31.578227 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -6.453 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: 9, replica: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -40.580744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.580744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.580744 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -8.629 Base-Backbone interact. energy: 0.351 local terms energy: -27.213562 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: 1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -36.282017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.282017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.282017 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -9.384 Base-Backbone interact. energy: 1.233 local terms energy: -24.104991 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.106 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -0.761 tors. eta vs tors. theta energy: 0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -72.116028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.116028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.116028 (E_RNA) where: Base-Base interactions energy: -34.988 where: short stacking energy: -23.217 Base-Backbone interact. energy: -0.000 local terms energy: -37.128249 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -7.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -70.746522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.746522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.746522 (E_RNA) where: Base-Base interactions energy: -35.432 where: short stacking energy: -23.567 Base-Backbone interact. energy: -0.023 local terms energy: -35.291989 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -63.952741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.952741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.952741 (E_RNA) where: Base-Base interactions energy: -28.182 where: short stacking energy: -28.182 Base-Backbone interact. energy: -0.000 local terms energy: -35.770920 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -9.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -62.787542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.787542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.787542 (E_RNA) where: Base-Base interactions energy: -26.808 where: short stacking energy: -26.808 Base-Backbone interact. energy: -0.001 local terms energy: -35.978012 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -8.444 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: 179 Temperature: 1.100000 Total energy: -54.041460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.041460 (E_RNA) where: Base-Base interactions energy: -22.588 where: short stacking energy: -22.588 Base-Backbone interact. energy: -0.020 local terms energy: -31.434063 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -1.774 tors. eta vs tors. theta energy: -6.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -57.213654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.213654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.213654 (E_RNA) where: Base-Base interactions energy: -24.892 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.110 local terms energy: -32.211185 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -51.663101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.663101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.663101 (E_RNA) where: Base-Base interactions energy: -22.818 where: short stacking energy: -22.818 Base-Backbone interact. energy: 0.073 local terms energy: -28.918616 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -6.158 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -42.782801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.782801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.782801 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.037 local terms energy: -31.496581 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -6.095 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: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -48.619020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.619020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.619020 (E_RNA) where: Base-Base interactions energy: -17.254 where: short stacking energy: -13.808 Base-Backbone interact. energy: -0.976 local terms energy: -30.388735 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -7.765 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -44.011359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.011359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.011359 (E_RNA) where: Base-Base interactions energy: -24.720 where: short stacking energy: -18.939 Base-Backbone interact. energy: -0.003 local terms energy: -19.287752 where: bonds (distance) C4'-P energy: -1.097 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -71.960566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.960566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.960566 (E_RNA) where: Base-Base interactions energy: -32.431 where: short stacking energy: -21.961 Base-Backbone interact. energy: -0.000 local terms energy: -39.528969 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -7.912 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: 2, replica: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -69.776075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.776075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.776075 (E_RNA) where: Base-Base interactions energy: -33.281 where: short stacking energy: -24.830 Base-Backbone interact. energy: -0.000 local terms energy: -36.494622 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -8.758 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: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -58.060014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.060014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.060014 (E_RNA) where: Base-Base interactions energy: -26.159 where: short stacking energy: -24.007 Base-Backbone interact. energy: -0.028 local terms energy: -31.873015 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -56.052539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.052539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.052539 (E_RNA) where: Base-Base interactions energy: -20.172 where: short stacking energy: -20.172 Base-Backbone interact. energy: -0.000 local terms energy: -35.880865 where: bonds (distance) C4'-P energy: -5.569 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -5.803 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: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -61.075221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.075221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.075221 (E_RNA) where: Base-Base interactions energy: -23.415 where: short stacking energy: -23.415 Base-Backbone interact. energy: -0.000 local terms energy: -37.660586 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -7.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -47.977393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.977393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.977393 (E_RNA) where: Base-Base interactions energy: -16.349 where: short stacking energy: -16.349 Base-Backbone interact. energy: -0.086 local terms energy: -31.541514 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -4.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -51.301718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.301718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.301718 (E_RNA) where: Base-Base interactions energy: -19.254 where: short stacking energy: -19.254 Base-Backbone interact. energy: -0.099 local terms energy: -31.948961 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -8.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -47.244155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.244155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.244155 (E_RNA) where: Base-Base interactions energy: -16.890 where: short stacking energy: -16.890 Base-Backbone interact. energy: -0.000 local terms energy: -30.354525 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -8.721 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -5.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -43.740450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.740450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.740450 (E_RNA) where: Base-Base interactions energy: -17.501 where: short stacking energy: -17.501 Base-Backbone interact. energy: -0.001 local terms energy: -26.239361 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -3.501 flat angles C4'-P-C4' energy: -2.444 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -46.077850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.077850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.077850 (E_RNA) where: Base-Base interactions energy: -24.037 where: short stacking energy: -15.625 Base-Backbone interact. energy: -0.015 local terms energy: -22.025716 where: bonds (distance) C4'-P energy: -2.569 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -72.283277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.283277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.283277 (E_RNA) where: Base-Base interactions energy: -35.729 where: short stacking energy: -35.729 Base-Backbone interact. energy: -0.000 local terms energy: -36.554049 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -9.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -67.565088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.565088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.565088 (E_RNA) where: Base-Base interactions energy: -28.225 where: short stacking energy: -28.225 Base-Backbone interact. energy: -0.004 local terms energy: -39.335424 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -7.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -71.013202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.013202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.013202 (E_RNA) where: Base-Base interactions energy: -38.640 where: short stacking energy: -27.714 Base-Backbone interact. energy: -0.001 local terms energy: -32.372151 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -2.769 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: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -62.548116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.548116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.548116 (E_RNA) where: Base-Base interactions energy: -24.167 where: short stacking energy: -24.167 Base-Backbone interact. energy: -0.000 local terms energy: -38.380823 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -58.693445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.693445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.693445 (E_RNA) where: Base-Base interactions energy: -27.211 where: short stacking energy: -27.211 Base-Backbone interact. energy: -0.000 local terms energy: -31.481788 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -6.155 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -4.380 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: 6, replica: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -47.997041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.997041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.997041 (E_RNA) where: Base-Base interactions energy: -19.058 where: short stacking energy: -19.058 Base-Backbone interact. energy: -0.000 local terms energy: -28.938676 where: bonds (distance) C4'-P energy: -3.457 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -51.826210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.826210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.826210 (E_RNA) where: Base-Base interactions energy: -20.044 where: short stacking energy: -18.293 Base-Backbone interact. energy: -0.003 local terms energy: -31.779692 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -7.674 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: 181 Temperature: 1.250000 Total energy: -49.688480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.688480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.688480 (E_RNA) where: Base-Base interactions energy: -18.366 where: short stacking energy: -18.366 Base-Backbone interact. energy: -0.000 local terms energy: -31.321814 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.526 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: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -47.467360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.467360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.467360 (E_RNA) where: Base-Base interactions energy: -18.442 where: short stacking energy: -18.442 Base-Backbone interact. energy: -0.000 local terms energy: -29.024919 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -45.134602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.134602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.134602 (E_RNA) where: Base-Base interactions energy: -17.279 where: short stacking energy: -17.279 Base-Backbone interact. energy: -0.005 local terms energy: -27.850100 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -6.507 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: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -58.821452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.821452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.821452 (E_RNA) where: Base-Base interactions energy: -24.799 where: short stacking energy: -24.799 Base-Backbone interact. energy: -0.003 local terms energy: -34.018793 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -9.430 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: 182 Temperature: 0.950000 Total energy: -79.926015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.926015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.926015 (E_RNA) where: Base-Base interactions energy: -42.255 where: short stacking energy: -27.163 Base-Backbone interact. energy: -0.005 local terms energy: -37.665854 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -8.808 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -6.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -65.431696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.431696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.431696 (E_RNA) where: Base-Base interactions energy: -38.056 where: short stacking energy: -16.092 Base-Backbone interact. energy: -0.054 local terms energy: -27.322127 where: bonds (distance) C4'-P energy: -5.217 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -4.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -64.907847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.907847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.907847 (E_RNA) where: Base-Base interactions energy: -30.115 where: short stacking energy: -26.989 Base-Backbone interact. energy: -0.048 local terms energy: -34.745150 where: bonds (distance) C4'-P energy: -4.695 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -6.879 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: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -54.545116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.545116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.545116 (E_RNA) where: Base-Base interactions energy: -25.816 where: short stacking energy: -17.236 Base-Backbone interact. energy: -0.099 local terms energy: -28.630706 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -2.829 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: 6, replica: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -56.473704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.473704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.473704 (E_RNA) where: Base-Base interactions energy: -26.219 where: short stacking energy: -12.184 Base-Backbone interact. energy: -0.006 local terms energy: -30.248942 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -46.082971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.082971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.082971 (E_RNA) where: Base-Base interactions energy: -15.904 where: short stacking energy: -15.904 Base-Backbone interact. energy: -0.008 local terms energy: -30.170740 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -47.821508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.821508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.821508 (E_RNA) where: Base-Base interactions energy: -17.465 where: short stacking energy: -17.465 Base-Backbone interact. energy: -0.096 local terms energy: -30.260451 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -6.273 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: 9, replica: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -45.178377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.178377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.178377 (E_RNA) where: Base-Base interactions energy: -15.913 where: short stacking energy: -11.755 Base-Backbone interact. energy: -0.002 local terms energy: -29.263413 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -37.653561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.653561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.653561 (E_RNA) where: Base-Base interactions energy: -15.462 where: short stacking energy: -8.031 Base-Backbone interact. energy: -0.176 local terms energy: -22.015229 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -64.322062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.322062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.322062 (E_RNA) where: Base-Base interactions energy: -29.583 where: short stacking energy: -29.583 Base-Backbone interact. energy: -0.022 local terms energy: -34.717596 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -75.226241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.226241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.226241 (E_RNA) where: Base-Base interactions energy: -40.475 where: short stacking energy: -16.226 Base-Backbone interact. energy: -0.044 local terms energy: -34.707839 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.851 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -2.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -69.517030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.517030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.517030 (E_RNA) where: Base-Base interactions energy: -38.143 where: short stacking energy: -27.796 Base-Backbone interact. energy: -0.012 local terms energy: -31.362842 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -71.983488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.983488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.983488 (E_RNA) where: Base-Base interactions energy: -41.378 where: short stacking energy: -27.876 Base-Backbone interact. energy: 0.077 local terms energy: -30.682007 where: bonds (distance) C4'-P energy: -3.518 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.983 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -59.262648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.262648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.262648 (E_RNA) where: Base-Base interactions energy: -26.252 where: short stacking energy: -20.054 Base-Backbone interact. energy: -0.000 local terms energy: -33.010306 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -54.251125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.251125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.251125 (E_RNA) where: Base-Base interactions energy: -21.834 where: short stacking energy: -20.327 Base-Backbone interact. energy: -0.000 local terms energy: -32.416464 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -9.149 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -53.418340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.418340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.418340 (E_RNA) where: Base-Base interactions energy: -22.779 where: short stacking energy: -17.742 Base-Backbone interact. energy: 0.806 local terms energy: -31.445530 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -6.489 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: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -51.761377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.761377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.761377 (E_RNA) where: Base-Base interactions energy: -26.331 where: short stacking energy: -21.875 Base-Backbone interact. energy: -0.006 local terms energy: -25.423802 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -49.989005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.989005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.989005 (E_RNA) where: Base-Base interactions energy: -16.828 where: short stacking energy: -16.828 Base-Backbone interact. energy: 0.483 local terms energy: -33.643130 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -41.791200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.791200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.791200 (E_RNA) where: Base-Base interactions energy: -15.601 where: short stacking energy: -14.636 Base-Backbone interact. energy: -0.012 local terms energy: -26.178318 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -3.613 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -4.235 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: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -77.297109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.297109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.297109 (E_RNA) where: Base-Base interactions energy: -41.569 where: short stacking energy: -32.993 Base-Backbone interact. energy: -0.001 local terms energy: -35.726810 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -7.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -63.241720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.241720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.241720 (E_RNA) where: Base-Base interactions energy: -28.023 where: short stacking energy: -28.023 Base-Backbone interact. energy: -0.008 local terms energy: -35.210898 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -1.307 tors. eta vs tors. theta energy: -9.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -72.178875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.178875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.178875 (E_RNA) where: Base-Base interactions energy: -40.264 where: short stacking energy: -23.194 Base-Backbone interact. energy: 0.145 local terms energy: -32.059822 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -5.353 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: 4, replica: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -52.625532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.625532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.625532 (E_RNA) where: Base-Base interactions energy: -23.559 where: short stacking energy: -23.559 Base-Backbone interact. energy: -0.000 local terms energy: -29.066478 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -4.446 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: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -52.401625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.401625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.401625 (E_RNA) where: Base-Base interactions energy: -18.644 where: short stacking energy: -18.644 Base-Backbone interact. energy: -0.005 local terms energy: -33.752606 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -4.435 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: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -60.979708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.979708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.979708 (E_RNA) where: Base-Base interactions energy: -25.398 where: short stacking energy: -16.836 Base-Backbone interact. energy: -0.018 local terms energy: -35.563373 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -4.418 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: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -51.173515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.173515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.173515 (E_RNA) where: Base-Base interactions energy: -21.649 where: short stacking energy: -18.620 Base-Backbone interact. energy: 0.091 local terms energy: -29.616095 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -7.473 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -43.731711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.731711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.731711 (E_RNA) where: Base-Base interactions energy: -10.863 where: short stacking energy: -10.863 Base-Backbone interact. energy: 0.148 local terms energy: -33.016310 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -5.401 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: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -46.604324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.604324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.604324 (E_RNA) where: Base-Base interactions energy: -18.570 where: short stacking energy: -18.570 Base-Backbone interact. energy: -0.003 local terms energy: -28.030750 where: bonds (distance) C4'-P energy: -1.225 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -7.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -37.117106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.117106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.117106 (E_RNA) where: Base-Base interactions energy: -12.951 where: short stacking energy: -12.951 Base-Backbone interact. energy: -0.000 local terms energy: -24.165804 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: 0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -85.638426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.638426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.638426 (E_RNA) where: Base-Base interactions energy: -45.348 where: short stacking energy: -29.658 Base-Backbone interact. energy: -0.006 local terms energy: -40.284823 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -8.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -70.458864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.458864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.458864 (E_RNA) where: Base-Base interactions energy: -34.744 where: short stacking energy: -28.892 Base-Backbone interact. energy: -0.085 local terms energy: -35.629490 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -56.508640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.508640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.508640 (E_RNA) where: Base-Base interactions energy: -22.226 where: short stacking energy: -22.226 Base-Backbone interact. energy: -0.026 local terms energy: -34.256700 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -5.279 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: 4, replica: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -59.076007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.076007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.076007 (E_RNA) where: Base-Base interactions energy: -27.165 where: short stacking energy: -27.165 Base-Backbone interact. energy: -0.008 local terms energy: -31.902832 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -5.032 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: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -49.408450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.408450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.408450 (E_RNA) where: Base-Base interactions energy: -22.337 where: short stacking energy: -22.337 Base-Backbone interact. energy: -0.022 local terms energy: -27.049467 where: bonds (distance) C4'-P energy: -5.162 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -47.466313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.466313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.466313 (E_RNA) where: Base-Base interactions energy: -20.474 where: short stacking energy: -20.429 Base-Backbone interact. energy: -0.000 local terms energy: -26.991969 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -44.535229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.535229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.535229 (E_RNA) where: Base-Base interactions energy: -15.367 where: short stacking energy: -15.367 Base-Backbone interact. energy: -0.000 local terms energy: -29.167886 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -5.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -44.716338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.716338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.716338 (E_RNA) where: Base-Base interactions energy: -14.987 where: short stacking energy: -13.171 Base-Backbone interact. energy: -0.032 local terms energy: -29.697701 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -5.160 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: 9, replica: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -39.404404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.404404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.404404 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.256 local terms energy: -25.139713 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -2.221 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: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -41.356864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.356864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.356864 (E_RNA) where: Base-Base interactions energy: -13.412 where: short stacking energy: -13.412 Base-Backbone interact. energy: -0.044 local terms energy: -27.900298 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.244 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -83.837757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.837757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.837757 (E_RNA) where: Base-Base interactions energy: -47.654 where: short stacking energy: -27.054 Base-Backbone interact. energy: -0.014 local terms energy: -36.169340 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -5.917 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -72.235663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.235663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.235663 (E_RNA) where: Base-Base interactions energy: -32.418 where: short stacking energy: -32.418 Base-Backbone interact. energy: -0.000 local terms energy: -39.818111 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: -8.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -59.471115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.471115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.471115 (E_RNA) where: Base-Base interactions energy: -24.385 where: short stacking energy: -19.342 Base-Backbone interact. energy: -0.004 local terms energy: -35.082791 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -6.256 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -58.894699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.894699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.894699 (E_RNA) where: Base-Base interactions energy: -25.291 where: short stacking energy: -21.757 Base-Backbone interact. energy: -0.000 local terms energy: -33.603031 where: bonds (distance) C4'-P energy: -5.170 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -6.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -47.058624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.058624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.058624 (E_RNA) where: Base-Base interactions energy: -13.890 where: short stacking energy: -13.432 Base-Backbone interact. energy: -0.002 local terms energy: -33.167010 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -6.988 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: 6, replica: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -50.974846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.974846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.974846 (E_RNA) where: Base-Base interactions energy: -23.922 where: short stacking energy: -21.209 Base-Backbone interact. energy: -0.019 local terms energy: -27.033936 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -3.959 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: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -49.961365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.961365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.961365 (E_RNA) where: Base-Base interactions energy: -19.645 where: short stacking energy: -19.645 Base-Backbone interact. energy: -0.068 local terms energy: -30.248231 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -43.379607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.379607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.379607 (E_RNA) where: Base-Base interactions energy: -15.196 where: short stacking energy: -15.196 Base-Backbone interact. energy: -0.001 local terms energy: -28.182587 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -3.728 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: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -46.918189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.918189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.918189 (E_RNA) where: Base-Base interactions energy: -18.381 where: short stacking energy: -18.295 Base-Backbone interact. energy: -0.009 local terms energy: -28.528193 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -39.737518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.737518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.737518 (E_RNA) where: Base-Base interactions energy: -11.947 where: short stacking energy: -11.947 Base-Backbone interact. energy: -0.159 local terms energy: -27.632058 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -81.344299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.344299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.344299 (E_RNA) where: Base-Base interactions energy: -43.183 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.005 local terms energy: -38.155940 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -9.393 flat angles P-C4'-P energy: -7.165 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: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -63.383355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.383355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.383355 (E_RNA) where: Base-Base interactions energy: -30.899 where: short stacking energy: -19.787 Base-Backbone interact. energy: 2.228 local terms energy: -34.713201 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -5.161 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: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -56.583771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.583771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.583771 (E_RNA) where: Base-Base interactions energy: -25.720 where: short stacking energy: -25.720 Base-Backbone interact. energy: -0.007 local terms energy: -30.857357 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -7.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -54.391831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.391831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.391831 (E_RNA) where: Base-Base interactions energy: -22.552 where: short stacking energy: -21.987 Base-Backbone interact. energy: -0.036 local terms energy: -31.803817 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -4.769 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -6.209 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: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -46.922956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.922956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.922956 (E_RNA) where: Base-Base interactions energy: -21.303 where: short stacking energy: -10.636 Base-Backbone interact. energy: -0.007 local terms energy: -25.613447 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: 2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -50.561728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.561728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.561728 (E_RNA) where: Base-Base interactions energy: -19.114 where: short stacking energy: -19.114 Base-Backbone interact. energy: -0.091 local terms energy: -31.355840 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -4.421 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: 7, replica: 4 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -54.930359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.930359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.930359 (E_RNA) where: Base-Base interactions energy: -30.041 where: short stacking energy: -21.858 Base-Backbone interact. energy: -0.132 local terms energy: -24.756958 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -4.845 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -0.885 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: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -50.922154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.922154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.922154 (E_RNA) where: Base-Base interactions energy: -22.104 where: short stacking energy: -20.876 Base-Backbone interact. energy: -0.000 local terms energy: -28.817390 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -4.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -40.515336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.515336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.515336 (E_RNA) where: Base-Base interactions energy: -11.370 where: short stacking energy: -11.370 Base-Backbone interact. energy: 0.012 local terms energy: -29.156991 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -5.281 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: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -46.129490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.129490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.129490 (E_RNA) where: Base-Base interactions energy: -15.991 where: short stacking energy: -14.902 Base-Backbone interact. energy: -0.054 local terms energy: -30.084848 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -69.862506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.862506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.862506 (E_RNA) where: Base-Base interactions energy: -33.192 where: short stacking energy: -33.192 Base-Backbone interact. energy: -0.016 local terms energy: -36.654709 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -6.018 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: 2, replica: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -65.348949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.348949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.348949 (E_RNA) where: Base-Base interactions energy: -30.822 where: short stacking energy: -25.410 Base-Backbone interact. energy: -0.000 local terms energy: -34.526730 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -65.017913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.017913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.017913 (E_RNA) where: Base-Base interactions energy: -35.436 where: short stacking energy: -25.935 Base-Backbone interact. energy: -0.009 local terms energy: -29.573503 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -5.236 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: 4, replica: 7 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -59.372694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.372694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.372694 (E_RNA) where: Base-Base interactions energy: -29.947 where: short stacking energy: -13.827 Base-Backbone interact. energy: -0.117 local terms energy: -29.308983 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -4.422 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: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -59.166439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.166439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.166439 (E_RNA) where: Base-Base interactions energy: -25.115 where: short stacking energy: -20.508 Base-Backbone interact. energy: -0.107 local terms energy: -33.943598 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -5.128 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: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -45.572213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.572213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.572213 (E_RNA) where: Base-Base interactions energy: -19.429 where: short stacking energy: -12.842 Base-Backbone interact. energy: -0.010 local terms energy: -26.133054 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -5.481 flat angles C4'-P-C4' energy: -8.205 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -44.541469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.541469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.541469 (E_RNA) where: Base-Base interactions energy: -20.384 where: short stacking energy: -16.195 Base-Backbone interact. energy: -0.027 local terms energy: -24.130228 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -0.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -45.133575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.133575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.133575 (E_RNA) where: Base-Base interactions energy: -24.252 where: short stacking energy: -24.252 Base-Backbone interact. energy: -0.028 local terms energy: -20.853204 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -2.992 flat angles P-C4'-P energy: -3.005 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: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -44.652184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.652184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.652184 (E_RNA) where: Base-Base interactions energy: -21.279 where: short stacking energy: -21.279 Base-Backbone interact. energy: -0.114 local terms energy: -23.258753 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -5.214 flat angles C4'-P-C4' energy: -3.175 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -43.777205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.777205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.777205 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.103 local terms energy: -29.510466 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -5.467 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: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -56.038052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.038052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.038052 (E_RNA) where: Base-Base interactions energy: -26.558 where: short stacking energy: -11.192 Base-Backbone interact. energy: -0.212 local terms energy: -29.268290 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -3.979 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: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -67.872517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.872517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.872517 (E_RNA) where: Base-Base interactions energy: -33.634 where: short stacking energy: -20.923 Base-Backbone interact. energy: -0.019 local terms energy: -34.219034 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -4.720 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: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -56.034822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.034822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.034822 (E_RNA) where: Base-Base interactions energy: -23.833 where: short stacking energy: -23.833 Base-Backbone interact. energy: -0.021 local terms energy: -32.180535 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -57.643461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.643461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.643461 (E_RNA) where: Base-Base interactions energy: -29.587 where: short stacking energy: -21.580 Base-Backbone interact. energy: -0.055 local terms energy: -28.002199 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -5.982 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: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -55.536452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.536452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.536452 (E_RNA) where: Base-Base interactions energy: -25.116 where: short stacking energy: -25.116 Base-Backbone interact. energy: -0.000 local terms energy: -30.420449 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -5.951 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -49.617336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.617336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.617336 (E_RNA) where: Base-Base interactions energy: -18.402 where: short stacking energy: -18.402 Base-Backbone interact. energy: -0.000 local terms energy: -31.215639 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -3.308 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: 7, replica: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -47.486288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.486288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.486288 (E_RNA) where: Base-Base interactions energy: -17.897 where: short stacking energy: -16.834 Base-Backbone interact. energy: -0.024 local terms energy: -29.565198 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -1.398 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -52.048180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.048180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.048180 (E_RNA) where: Base-Base interactions energy: -20.663 where: short stacking energy: -20.663 Base-Backbone interact. energy: -0.000 local terms energy: -31.385258 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -44.727838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.727838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.727838 (E_RNA) where: Base-Base interactions energy: -25.467 where: short stacking energy: -17.398 Base-Backbone interact. energy: 2.136 local terms energy: -21.396195 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -0.413 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -39.460518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.460518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.460518 (E_RNA) where: Base-Base interactions energy: -12.827 where: short stacking energy: -12.827 Base-Backbone interact. energy: -0.019 local terms energy: -26.614163 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -70.223065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.223065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.223065 (E_RNA) where: Base-Base interactions energy: -32.966 where: short stacking energy: -32.966 Base-Backbone interact. energy: -0.000 local terms energy: -37.256822 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -9.903 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: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -66.319596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.319596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.319596 (E_RNA) where: Base-Base interactions energy: -27.090 where: short stacking energy: -24.190 Base-Backbone interact. energy: -0.032 local terms energy: -39.197828 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -58.397465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.397465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.397465 (E_RNA) where: Base-Base interactions energy: -23.458 where: short stacking energy: -23.458 Base-Backbone interact. energy: -0.102 local terms energy: -34.838219 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -5.824 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: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -54.711828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.711828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.711828 (E_RNA) where: Base-Base interactions energy: -22.795 where: short stacking energy: -18.478 Base-Backbone interact. energy: -0.033 local terms energy: -31.883507 where: bonds (distance) C4'-P energy: -6.051 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -47.364298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.364298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.364298 (E_RNA) where: Base-Base interactions energy: -15.811 where: short stacking energy: -15.811 Base-Backbone interact. energy: -0.068 local terms energy: -31.485433 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -44.111635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.111635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.111635 (E_RNA) where: Base-Base interactions energy: -16.003 where: short stacking energy: -16.003 Base-Backbone interact. energy: -0.057 local terms energy: -28.052127 where: bonds (distance) C4'-P energy: -6.520 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -44.598284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.598284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.598284 (E_RNA) where: Base-Base interactions energy: -15.828 where: short stacking energy: -15.828 Base-Backbone interact. energy: -0.003 local terms energy: -28.767405 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -45.118926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.118926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.118926 (E_RNA) where: Base-Base interactions energy: -15.373 where: short stacking energy: -14.349 Base-Backbone interact. energy: -0.014 local terms energy: -29.731209 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -5.348 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: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -46.577727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.577727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.577727 (E_RNA) where: Base-Base interactions energy: -20.204 where: short stacking energy: -20.910 Base-Backbone interact. energy: -0.006 local terms energy: -26.367660 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -3.839 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: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -40.863260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.863260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.863260 (E_RNA) where: Base-Base interactions energy: -17.211 where: short stacking energy: -12.160 Base-Backbone interact. energy: -0.104 local terms energy: -23.547428 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -4.933 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -6.602 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -70.685160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.685160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.685160 (E_RNA) where: Base-Base interactions energy: -32.882 where: short stacking energy: -32.882 Base-Backbone interact. energy: -0.000 local terms energy: -37.803567 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -9.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -63.917889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.917889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.917889 (E_RNA) where: Base-Base interactions energy: -29.321 where: short stacking energy: -21.839 Base-Backbone interact. energy: -0.038 local terms energy: -34.558472 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -58.727072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.727072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.727072 (E_RNA) where: Base-Base interactions energy: -25.238 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.077 local terms energy: -33.412721 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -8.842 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -3.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -48.053870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.053870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.053870 (E_RNA) where: Base-Base interactions energy: -18.502 where: short stacking energy: -15.977 Base-Backbone interact. energy: -0.181 local terms energy: -29.371670 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -3.221 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: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -49.439706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.439706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.439706 (E_RNA) where: Base-Base interactions energy: -22.727 where: short stacking energy: -16.773 Base-Backbone interact. energy: -0.000 local terms energy: -26.712537 where: bonds (distance) C4'-P energy: -4.977 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -1.126 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: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -57.944585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.944585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.944585 (E_RNA) where: Base-Base interactions energy: -27.979 where: short stacking energy: -27.979 Base-Backbone interact. energy: -0.007 local terms energy: -29.959017 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -1.672 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: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -40.120240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.120240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.120240 (E_RNA) where: Base-Base interactions energy: -13.959 where: short stacking energy: -5.431 Base-Backbone interact. energy: -0.098 local terms energy: -26.062570 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -48.428856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.428856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.428856 (E_RNA) where: Base-Base interactions energy: -19.698 where: short stacking energy: -16.047 Base-Backbone interact. energy: 0.251 local terms energy: -28.981233 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -3.024 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: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -44.007955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.007955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.007955 (E_RNA) where: Base-Base interactions energy: -12.836 where: short stacking energy: -12.836 Base-Backbone interact. energy: -0.001 local terms energy: -31.171205 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -39.515703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.515703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.515703 (E_RNA) where: Base-Base interactions energy: -15.225 where: short stacking energy: -13.659 Base-Backbone interact. energy: 0.686 local terms energy: -24.976250 where: bonds (distance) C4'-P energy: -3.386 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -7.097 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: 1, replica: 2 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -65.023738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.023738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.023738 (E_RNA) where: Base-Base interactions energy: -27.073 where: short stacking energy: -27.073 Base-Backbone interact. energy: -0.009 local terms energy: -37.941762 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -8.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -65.465406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.465406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.465406 (E_RNA) where: Base-Base interactions energy: -29.403 where: short stacking energy: -29.403 Base-Backbone interact. energy: -0.001 local terms energy: -36.061903 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -9.492 flat angles P-C4'-P energy: -1.732 tors. eta vs tors. theta energy: -8.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -67.615195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.615195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.615195 (E_RNA) where: Base-Base interactions energy: -37.513 where: short stacking energy: -19.834 Base-Backbone interact. energy: -0.024 local terms energy: -30.078132 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -5.190 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: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -48.159101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.159101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.159101 (E_RNA) where: Base-Base interactions energy: -20.847 where: short stacking energy: -20.706 Base-Backbone interact. energy: -0.035 local terms energy: -27.276704 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -2.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -57.660910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.660910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.660910 (E_RNA) where: Base-Base interactions energy: -26.922 where: short stacking energy: -26.922 Base-Backbone interact. energy: -0.074 local terms energy: -30.665179 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -7.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -63.372549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.372549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.372549 (E_RNA) where: Base-Base interactions energy: -29.068 where: short stacking energy: -29.068 Base-Backbone interact. energy: -0.000 local terms energy: -34.304289 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -10.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -52.646760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.646760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.646760 (E_RNA) where: Base-Base interactions energy: -20.775 where: short stacking energy: -20.775 Base-Backbone interact. energy: -0.039 local terms energy: -31.832903 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -4.295 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: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -51.217805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.217805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.217805 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.006 local terms energy: -32.082803 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -3.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -43.319531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.319531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.319531 (E_RNA) where: Base-Base interactions energy: -13.928 where: short stacking energy: -13.928 Base-Backbone interact. energy: -0.176 local terms energy: -29.215584 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -48.635364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.635364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.635364 (E_RNA) where: Base-Base interactions energy: -16.600 where: short stacking energy: -15.947 Base-Backbone interact. energy: -0.000 local terms energy: -32.034624 where: bonds (distance) C4'-P energy: -6.871 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -4.941 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: 2 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -60.284738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.284738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.284738 (E_RNA) where: Base-Base interactions energy: -25.297 where: short stacking energy: -25.146 Base-Backbone interact. energy: -0.098 local terms energy: -34.889371 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.368 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: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -68.382345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.382345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.382345 (E_RNA) where: Base-Base interactions energy: -34.532 where: short stacking energy: -13.669 Base-Backbone interact. energy: -0.217 local terms energy: -33.633217 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.089 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -5.325 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: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -54.287553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.287553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.287553 (E_RNA) where: Base-Base interactions energy: -23.443 where: short stacking energy: -22.709 Base-Backbone interact. energy: -0.000 local terms energy: -30.843946 where: bonds (distance) C4'-P energy: -2.922 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -7.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -55.011500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.011500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.011500 (E_RNA) where: Base-Base interactions energy: -24.620 where: short stacking energy: -15.929 Base-Backbone interact. energy: -0.047 local terms energy: -30.344848 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -70.456900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.456900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.456900 (E_RNA) where: Base-Base interactions energy: -37.794 where: short stacking energy: -23.488 Base-Backbone interact. energy: -0.175 local terms energy: -32.487776 where: bonds (distance) C4'-P energy: -6.056 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -6.183 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: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -48.517491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.517491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.517491 (E_RNA) where: Base-Base interactions energy: -17.984 where: short stacking energy: -15.667 Base-Backbone interact. energy: -0.002 local terms energy: -30.531546 where: bonds (distance) C4'-P energy: -5.331 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -6.614 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: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -50.346921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.346921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.346921 (E_RNA) where: Base-Base interactions energy: -18.106 where: short stacking energy: -18.106 Base-Backbone interact. energy: 0.770 local terms energy: -33.011157 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -5.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -52.385653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.385653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.385653 (E_RNA) where: Base-Base interactions energy: -18.735 where: short stacking energy: -15.175 Base-Backbone interact. energy: -0.003 local terms energy: -33.646982 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.331 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -4.984 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: 9, replica: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -50.737596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.737596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.737596 (E_RNA) where: Base-Base interactions energy: -19.765 where: short stacking energy: -19.765 Base-Backbone interact. energy: -0.176 local terms energy: -30.796615 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -3.921 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: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -42.790409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.790409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.790409 (E_RNA) where: Base-Base interactions energy: -16.087 where: short stacking energy: -16.087 Base-Backbone interact. energy: -0.106 local terms energy: -26.597524 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -4.551 flat angles C4'-P-C4' energy: -8.519 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -68.712985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.712985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.712985 (E_RNA) where: Base-Base interactions energy: -33.613 where: short stacking energy: -25.664 Base-Backbone interact. energy: -0.003 local terms energy: -35.096572 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -7.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -59.400437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.400437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.400437 (E_RNA) where: Base-Base interactions energy: -27.941 where: short stacking energy: -27.941 Base-Backbone interact. energy: -0.000 local terms energy: -31.459171 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -6.117 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: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -53.612538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.612538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.612538 (E_RNA) where: Base-Base interactions energy: -26.668 where: short stacking energy: -13.806 Base-Backbone interact. energy: -0.019 local terms energy: -26.926056 where: bonds (distance) C4'-P energy: -6.053 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -75.759455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.759455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.759455 (E_RNA) where: Base-Base interactions energy: -42.058 where: short stacking energy: -27.843 Base-Backbone interact. energy: -0.040 local terms energy: -33.661668 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -7.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -60.850651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.850651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.850651 (E_RNA) where: Base-Base interactions energy: -30.705 where: short stacking energy: -17.017 Base-Backbone interact. energy: -0.219 local terms energy: -29.926556 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -3.219 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: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -63.580107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.580107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.580107 (E_RNA) where: Base-Base interactions energy: -29.174 where: short stacking energy: -29.174 Base-Backbone interact. energy: -0.000 local terms energy: -34.405949 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -10.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -54.788087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.788087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.788087 (E_RNA) where: Base-Base interactions energy: -24.032 where: short stacking energy: -23.664 Base-Backbone interact. energy: -0.000 local terms energy: -30.756111 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.527 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -44.431885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.431885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.431885 (E_RNA) where: Base-Base interactions energy: -15.151 where: short stacking energy: -14.757 Base-Backbone interact. energy: -0.001 local terms energy: -29.279239 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -39.851732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.851732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.851732 (E_RNA) where: Base-Base interactions energy: -12.149 where: short stacking energy: -3.276 Base-Backbone interact. energy: -0.187 local terms energy: -27.514907 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -7.243 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: 10, replica: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -36.660526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.660526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.660526 (E_RNA) where: Base-Base interactions energy: -14.523 where: short stacking energy: -14.523 Base-Backbone interact. energy: 0.346 local terms energy: -22.483850 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: 0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -73.801513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.801513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.801513 (E_RNA) where: Base-Base interactions energy: -35.061 where: short stacking energy: -24.599 Base-Backbone interact. energy: -0.000 local terms energy: -38.740117 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -7.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -65.638203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.638203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.638203 (E_RNA) where: Base-Base interactions energy: -27.203 where: short stacking energy: -27.203 Base-Backbone interact. energy: -0.000 local terms energy: -38.434958 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -7.020 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: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -66.136796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.136796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.136796 (E_RNA) where: Base-Base interactions energy: -29.342 where: short stacking energy: -29.342 Base-Backbone interact. energy: -0.000 local terms energy: -36.795116 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -5.420 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: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -70.759651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.759651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.759651 (E_RNA) where: Base-Base interactions energy: -38.002 where: short stacking energy: -24.019 Base-Backbone interact. energy: -0.131 local terms energy: -32.626706 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -51.557529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.557529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.557529 (E_RNA) where: Base-Base interactions energy: -20.601 where: short stacking energy: -15.228 Base-Backbone interact. energy: -0.875 local terms energy: -30.081136 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -5.951 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: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -52.537077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.537077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.537077 (E_RNA) where: Base-Base interactions energy: -17.743 where: short stacking energy: -17.743 Base-Backbone interact. energy: -0.039 local terms energy: -34.755156 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -46.545663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.545663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.545663 (E_RNA) where: Base-Base interactions energy: -17.298 where: short stacking energy: -17.298 Base-Backbone interact. energy: -0.009 local terms energy: -29.238596 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -1.914 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: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -42.090743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.090743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.090743 (E_RNA) where: Base-Base interactions energy: -13.837 where: short stacking energy: -12.613 Base-Backbone interact. energy: -0.539 local terms energy: -27.714484 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: 0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -46.014819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.014819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.014819 (E_RNA) where: Base-Base interactions energy: -21.290 where: short stacking energy: -21.290 Base-Backbone interact. energy: -0.003 local terms energy: -24.721767 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -2.987 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -2.222 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: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -44.846371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.846371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.846371 (E_RNA) where: Base-Base interactions energy: -15.991 where: short stacking energy: -15.991 Base-Backbone interact. energy: -0.001 local terms energy: -28.854782 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -9.689 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -0.476 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: 2 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -69.168173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.168173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.168173 (E_RNA) where: Base-Base interactions energy: -30.346 where: short stacking energy: -30.346 Base-Backbone interact. energy: -0.000 local terms energy: -38.822071 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.948 flat angles P-C4'-P energy: -4.730 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: 2, replica: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -69.659600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.659600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.659600 (E_RNA) where: Base-Base interactions energy: -29.955 where: short stacking energy: -29.955 Base-Backbone interact. energy: -0.000 local terms energy: -39.704342 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -10.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -65.483930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.483930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.483930 (E_RNA) where: Base-Base interactions energy: -30.444 where: short stacking energy: -28.796 Base-Backbone interact. energy: -0.029 local terms energy: -35.010129 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -7.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -57.466961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.466961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.466961 (E_RNA) where: Base-Base interactions energy: -24.117 where: short stacking energy: -24.117 Base-Backbone interact. energy: 0.229 local terms energy: -33.578883 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -47.376278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.376278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.376278 (E_RNA) where: Base-Base interactions energy: -20.518 where: short stacking energy: -20.518 Base-Backbone interact. energy: -0.043 local terms energy: -26.814853 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.797 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.157 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: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -47.231164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.231164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.231164 (E_RNA) where: Base-Base interactions energy: -21.013 where: short stacking energy: -13.873 Base-Backbone interact. energy: -0.091 local terms energy: -26.126821 where: bonds (distance) C4'-P energy: -3.702 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -4.209 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: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -45.983436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.983436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.983436 (E_RNA) where: Base-Base interactions energy: -17.789 where: short stacking energy: -13.281 Base-Backbone interact. energy: -0.006 local terms energy: -28.188425 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -5.161 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: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -43.542458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.542458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.542458 (E_RNA) where: Base-Base interactions energy: -14.086 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.040 local terms energy: -29.416522 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -6.276 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: 9, replica: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -53.920785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.920785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.920785 (E_RNA) where: Base-Base interactions energy: -25.204 where: short stacking energy: -18.276 Base-Backbone interact. energy: -0.001 local terms energy: -28.715427 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -42.184507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.184507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.184507 (E_RNA) where: Base-Base interactions energy: -16.416 where: short stacking energy: -16.416 Base-Backbone interact. energy: 1.809 local terms energy: -27.577363 where: bonds (distance) C4'-P energy: -5.262 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: 0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -68.627687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.627687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.627687 (E_RNA) where: Base-Base interactions energy: -29.859 where: short stacking energy: -29.859 Base-Backbone interact. energy: -0.000 local terms energy: -38.768656 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -9.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -77.509783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.509783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.509783 (E_RNA) where: Base-Base interactions energy: -42.452 where: short stacking energy: -32.335 Base-Backbone interact. energy: -0.000 local terms energy: -35.057549 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.775 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -8.317 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: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -69.703244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.703244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.703244 (E_RNA) where: Base-Base interactions energy: -29.595 where: short stacking energy: -29.595 Base-Backbone interact. energy: -0.000 local terms energy: -40.108065 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -11.521 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: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -54.896941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.896941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.896941 (E_RNA) where: Base-Base interactions energy: -18.398 where: short stacking energy: -18.398 Base-Backbone interact. energy: -0.048 local terms energy: -36.450567 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -7.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -51.231260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.231260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.231260 (E_RNA) where: Base-Base interactions energy: -24.706 where: short stacking energy: -16.335 Base-Backbone interact. energy: -0.293 local terms energy: -26.232104 where: bonds (distance) C4'-P energy: -4.082 bonds (distance) P-C4' energy: -4.809 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -3.953 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: 197 Temperature: 1.150000 Total energy: -46.764981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.764981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.764981 (E_RNA) where: Base-Base interactions energy: -17.753 where: short stacking energy: -16.595 Base-Backbone interact. energy: -0.064 local terms energy: -28.948256 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -49.443684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.443684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.443684 (E_RNA) where: Base-Base interactions energy: -25.220 where: short stacking energy: -14.764 Base-Backbone interact. energy: -0.122 local terms energy: -24.101589 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -4.335 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: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -46.657829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.657829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.657829 (E_RNA) where: Base-Base interactions energy: -19.930 where: short stacking energy: -19.930 Base-Backbone interact. energy: -0.010 local terms energy: -26.718738 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -6.039 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -45.311210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.311210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.311210 (E_RNA) where: Base-Base interactions energy: -18.981 where: short stacking energy: -18.203 Base-Backbone interact. energy: 2.571 local terms energy: -28.900837 where: bonds (distance) C4'-P energy: -5.254 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.907 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -41.883790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.883790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.883790 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.022 local terms energy: -29.210667 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: 0.476 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: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -85.645862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.645862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.645862 (E_RNA) where: Base-Base interactions energy: -47.167 where: short stacking energy: -31.507 Base-Backbone interact. energy: -0.095 local terms energy: -38.383773 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -8.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -62.970589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.970589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.970589 (E_RNA) where: Base-Base interactions energy: -25.439 where: short stacking energy: -25.439 Base-Backbone interact. energy: -0.000 local terms energy: -37.531467 where: bonds (distance) C4'-P energy: -7.007 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -7.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -58.317898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.317898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.317898 (E_RNA) where: Base-Base interactions energy: -25.226 where: short stacking energy: -25.226 Base-Backbone interact. energy: -0.078 local terms energy: -33.013690 where: bonds (distance) C4'-P energy: -4.710 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -6.323 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: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -50.046994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.046994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.046994 (E_RNA) where: Base-Base interactions energy: -23.041 where: short stacking energy: -15.143 Base-Backbone interact. energy: -0.058 local terms energy: -26.948821 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -0.797 tors. eta vs tors. theta energy: -5.851 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: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -55.428916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.428916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.428916 (E_RNA) where: Base-Base interactions energy: -20.828 where: short stacking energy: -20.828 Base-Backbone interact. energy: -0.034 local terms energy: -34.567246 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -4.368 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: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -57.485185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.485185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.485185 (E_RNA) where: Base-Base interactions energy: -22.320 where: short stacking energy: -19.005 Base-Backbone interact. energy: -0.170 local terms energy: -34.994339 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -6.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -53.282228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.282228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.282228 (E_RNA) where: Base-Base interactions energy: -19.581 where: short stacking energy: -19.581 Base-Backbone interact. energy: -0.045 local terms energy: -33.655554 where: bonds (distance) C4'-P energy: -6.051 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -6.066 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: 8, replica: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -40.169619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.169619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.169619 (E_RNA) where: Base-Base interactions energy: -15.151 where: short stacking energy: -11.462 Base-Backbone interact. energy: -0.053 local terms energy: -24.965343 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -4.260 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -51.090632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.090632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.090632 (E_RNA) where: Base-Base interactions energy: -20.043 where: short stacking energy: -20.043 Base-Backbone interact. energy: -0.000 local terms energy: -31.047270 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -4.483 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -7.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -41.126650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.126650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.126650 (E_RNA) where: Base-Base interactions energy: -15.102 where: short stacking energy: -15.102 Base-Backbone interact. energy: -0.039 local terms energy: -25.985859 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -4.910 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: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -82.257224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.257224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.257224 (E_RNA) where: Base-Base interactions energy: -40.028 where: short stacking energy: -29.671 Base-Backbone interact. energy: -2.967 local terms energy: -39.262183 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -9.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -59.421493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.421493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.421493 (E_RNA) where: Base-Base interactions energy: -23.852 where: short stacking energy: -23.852 Base-Backbone interact. energy: -0.000 local terms energy: -35.569589 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -7.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -68.765064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.765064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.765064 (E_RNA) where: Base-Base interactions energy: -29.585 where: short stacking energy: -29.585 Base-Backbone interact. energy: -0.002 local terms energy: -39.177828 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -9.601 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: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -53.193969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.193969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.193969 (E_RNA) where: Base-Base interactions energy: -22.664 where: short stacking energy: -22.664 Base-Backbone interact. energy: -0.002 local terms energy: -30.528181 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -52.273592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.273592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.273592 (E_RNA) where: Base-Base interactions energy: -17.382 where: short stacking energy: -17.382 Base-Backbone interact. energy: -0.109 local terms energy: -34.782023 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -51.120969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.120969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.120969 (E_RNA) where: Base-Base interactions energy: -17.713 where: short stacking energy: -17.713 Base-Backbone interact. energy: -0.064 local terms energy: -33.343565 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -5.382 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: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -43.515187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.515187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.515187 (E_RNA) where: Base-Base interactions energy: -15.958 where: short stacking energy: -15.958 Base-Backbone interact. energy: -0.013 local terms energy: -27.544631 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -2.871 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -47.234336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.234336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.234336 (E_RNA) where: Base-Base interactions energy: -17.603 where: short stacking energy: -17.603 Base-Backbone interact. energy: -0.033 local terms energy: -29.597825 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -42.274218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.274218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.274218 (E_RNA) where: Base-Base interactions energy: -12.869 where: short stacking energy: -12.869 Base-Backbone interact. energy: -0.079 local terms energy: -29.325627 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -41.148301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.148301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.148301 (E_RNA) where: Base-Base interactions energy: -16.732 where: short stacking energy: -16.732 Base-Backbone interact. energy: -0.099 local terms energy: -24.317323 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -76.570880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.570880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.570880 (E_RNA) where: Base-Base interactions energy: -39.317 where: short stacking energy: -21.247 Base-Backbone interact. energy: -0.000 local terms energy: -37.253596 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -7.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -56.898090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.898090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.898090 (E_RNA) where: Base-Base interactions energy: -25.475 where: short stacking energy: -25.475 Base-Backbone interact. energy: -0.053 local terms energy: -31.369680 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.349 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -57.408181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.408181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.408181 (E_RNA) where: Base-Base interactions energy: -21.139 where: short stacking energy: -21.139 Base-Backbone interact. energy: -0.000 local terms energy: -36.268501 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -7.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -54.202694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.202694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.202694 (E_RNA) where: Base-Base interactions energy: -25.422 where: short stacking energy: -8.387 Base-Backbone interact. energy: -0.009 local terms energy: -28.771437 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -53.761701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.761701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.761701 (E_RNA) where: Base-Base interactions energy: -19.539 where: short stacking energy: -19.069 Base-Backbone interact. energy: -0.000 local terms energy: -34.222051 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -52.064931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.064931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.064931 (E_RNA) where: Base-Base interactions energy: -19.668 where: short stacking energy: -19.668 Base-Backbone interact. energy: -0.043 local terms energy: -32.353262 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -6.925 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: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -40.727902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.727902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.727902 (E_RNA) where: Base-Base interactions energy: -14.320 where: short stacking energy: -14.320 Base-Backbone interact. energy: -0.181 local terms energy: -26.227008 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: 2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -46.628357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.628357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.628357 (E_RNA) where: Base-Base interactions energy: -17.119 where: short stacking energy: -18.919 Base-Backbone interact. energy: 0.669 local terms energy: -30.177863 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -48.570310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.570310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.570310 (E_RNA) where: Base-Base interactions energy: -14.929 where: short stacking energy: -14.469 Base-Backbone interact. energy: -0.069 local terms energy: -33.572626 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -9.099 flat angles P-C4'-P energy: -5.832 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: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -43.848564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.848564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.848564 (E_RNA) where: Base-Base interactions energy: -17.400 where: short stacking energy: -5.646 Base-Backbone interact. energy: 0.555 local terms energy: -27.003833 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: 1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -66.415183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.415183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.415183 (E_RNA) where: Base-Base interactions energy: -33.656 where: short stacking energy: -26.257 Base-Backbone interact. energy: -0.001 local terms energy: -32.758261 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -5.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -61.051381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.051381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.051381 (E_RNA) where: Base-Base interactions energy: -26.599 where: short stacking energy: -26.599 Base-Backbone interact. energy: -0.025 local terms energy: -34.427927 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -3.511 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: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -67.099417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.099417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.099417 (E_RNA) where: Base-Base interactions energy: -32.612 where: short stacking energy: -17.822 Base-Backbone interact. energy: -0.015 local terms energy: -34.472828 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -6.596 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: 201 Temperature: 1.050000 Total energy: -58.849254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.849254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.849254 (E_RNA) where: Base-Base interactions energy: -29.125 where: short stacking energy: -17.333 Base-Backbone interact. energy: -0.002 local terms energy: -29.722242 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -51.690872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.690872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.690872 (E_RNA) where: Base-Base interactions energy: -23.815 where: short stacking energy: -17.858 Base-Backbone interact. energy: -0.003 local terms energy: -27.872702 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -5.937 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: 6, replica: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -59.089069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.089069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.089069 (E_RNA) where: Base-Base interactions energy: -25.446 where: short stacking energy: -25.446 Base-Backbone interact. energy: -0.000 local terms energy: -33.642777 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -3.484 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: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -61.212343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.212343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.212343 (E_RNA) where: Base-Base interactions energy: -25.975 where: short stacking energy: -25.975 Base-Backbone interact. energy: -0.003 local terms energy: -35.234900 where: bonds (distance) C4'-P energy: -7.750 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -6.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -49.992355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.992355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.992355 (E_RNA) where: Base-Base interactions energy: -21.426 where: short stacking energy: -15.140 Base-Backbone interact. energy: 0.465 local terms energy: -29.031236 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -4.091 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: 9, replica: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -45.227033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.227033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.227033 (E_RNA) where: Base-Base interactions energy: -16.802 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.226 local terms energy: -28.199323 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -4.954 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: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -46.752422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.752422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.752422 (E_RNA) where: Base-Base interactions energy: -18.235 where: short stacking energy: -14.234 Base-Backbone interact. energy: -0.001 local terms energy: -28.516630 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -74.276586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.276586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.276586 (E_RNA) where: Base-Base interactions energy: -42.885 where: short stacking energy: -22.593 Base-Backbone interact. energy: -0.033 local terms energy: -31.358950 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -63.750938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.750938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.750938 (E_RNA) where: Base-Base interactions energy: -33.201 where: short stacking energy: -17.473 Base-Backbone interact. energy: -0.087 local terms energy: -30.462842 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -4.765 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: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -50.468615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.468615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.468615 (E_RNA) where: Base-Base interactions energy: -19.705 where: short stacking energy: -19.290 Base-Backbone interact. energy: -0.006 local terms energy: -30.758174 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -4.100 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: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -66.347724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.347724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.347724 (E_RNA) where: Base-Base interactions energy: -34.698 where: short stacking energy: -23.569 Base-Backbone interact. energy: -0.000 local terms energy: -31.649928 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -7.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -53.307835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.307835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.307835 (E_RNA) where: Base-Base interactions energy: -19.735 where: short stacking energy: -19.735 Base-Backbone interact. energy: -0.015 local terms energy: -33.557656 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -49.131797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.131797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.131797 (E_RNA) where: Base-Base interactions energy: -24.855 where: short stacking energy: -22.613 Base-Backbone interact. energy: 0.335 local terms energy: -24.612522 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -1.138 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: 7, replica: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -46.885506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.885506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.885506 (E_RNA) where: Base-Base interactions energy: -20.889 where: short stacking energy: -20.889 Base-Backbone interact. energy: -0.004 local terms energy: -25.992798 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -3.551 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.134 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: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -44.349097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.349097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.349097 (E_RNA) where: Base-Base interactions energy: -14.267 where: short stacking energy: -13.716 Base-Backbone interact. energy: -0.010 local terms energy: -30.072530 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -52.242140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.242140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.242140 (E_RNA) where: Base-Base interactions energy: -21.705 where: short stacking energy: -19.730 Base-Backbone interact. energy: -0.000 local terms energy: -30.537070 where: bonds (distance) C4'-P energy: -3.460 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -6.636 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -38.220935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.220935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.220935 (E_RNA) where: Base-Base interactions energy: -15.475 where: short stacking energy: -13.018 Base-Backbone interact. energy: -0.054 local terms energy: -22.692076 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: 1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -75.350953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.350953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.350953 (E_RNA) where: Base-Base interactions energy: -42.969 where: short stacking energy: -22.695 Base-Backbone interact. energy: 0.215 local terms energy: -32.597019 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -61.882957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.882957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.882957 (E_RNA) where: Base-Base interactions energy: -27.543 where: short stacking energy: -27.543 Base-Backbone interact. energy: -0.010 local terms energy: -34.329284 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -63.488888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.488888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.488888 (E_RNA) where: Base-Base interactions energy: -34.510 where: short stacking energy: -22.162 Base-Backbone interact. energy: -1.818 local terms energy: -27.160493 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -1.766 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: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -55.017278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.017278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.017278 (E_RNA) where: Base-Base interactions energy: -24.475 where: short stacking energy: -24.475 Base-Backbone interact. energy: -0.024 local terms energy: -30.517929 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -56.287714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.287714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.287714 (E_RNA) where: Base-Base interactions energy: -23.364 where: short stacking energy: -18.221 Base-Backbone interact. energy: 0.005 local terms energy: -32.928207 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -5.962 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: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -48.975821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.975821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.975821 (E_RNA) where: Base-Base interactions energy: -19.085 where: short stacking energy: -19.085 Base-Backbone interact. energy: -0.008 local terms energy: -29.882481 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -48.583414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.583414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.583414 (E_RNA) where: Base-Base interactions energy: -22.476 where: short stacking energy: -14.969 Base-Backbone interact. energy: -0.205 local terms energy: -25.902903 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: 1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -44.263155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.263155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.263155 (E_RNA) where: Base-Base interactions energy: -12.859 where: short stacking energy: -9.310 Base-Backbone interact. energy: -0.318 local terms energy: -31.086091 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -3.219 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: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -42.783421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.783421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.783421 (E_RNA) where: Base-Base interactions energy: -11.507 where: short stacking energy: -11.507 Base-Backbone interact. energy: -0.044 local terms energy: -31.232192 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -5.129 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: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -41.050209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.050209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.050209 (E_RNA) where: Base-Base interactions energy: -14.554 where: short stacking energy: -13.237 Base-Backbone interact. energy: -0.000 local terms energy: -26.496094 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -4.696 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: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -60.787945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.787945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.787945 (E_RNA) where: Base-Base interactions energy: -23.319 where: short stacking energy: -20.960 Base-Backbone interact. energy: -0.178 local terms energy: -37.291275 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -71.208879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.208879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.208879 (E_RNA) where: Base-Base interactions energy: -34.286 where: short stacking energy: -20.070 Base-Backbone interact. energy: -0.096 local terms energy: -36.826357 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -7.940 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: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -63.354997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.354997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.354997 (E_RNA) where: Base-Base interactions energy: -25.968 where: short stacking energy: -23.912 Base-Backbone interact. energy: 0.287 local terms energy: -37.673937 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.141 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -7.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -53.992425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.992425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.992425 (E_RNA) where: Base-Base interactions energy: -27.277 where: short stacking energy: -18.609 Base-Backbone interact. energy: -0.014 local terms energy: -26.700712 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -2.846 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: 5, replica: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -51.671494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.671494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.671494 (E_RNA) where: Base-Base interactions energy: -20.201 where: short stacking energy: -20.201 Base-Backbone interact. energy: 0.190 local terms energy: -31.659798 where: bonds (distance) C4'-P energy: -8.014 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -59.937153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.937153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.937153 (E_RNA) where: Base-Base interactions energy: -27.434 where: short stacking energy: -15.170 Base-Backbone interact. energy: -0.112 local terms energy: -32.390261 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -6.132 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: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -52.625974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.625974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.625974 (E_RNA) where: Base-Base interactions energy: -20.523 where: short stacking energy: -20.523 Base-Backbone interact. energy: -0.000 local terms energy: -32.103117 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -8.875 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -4.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -44.772184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.772184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.772184 (E_RNA) where: Base-Base interactions energy: -19.011 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.061 local terms energy: -25.699882 where: bonds (distance) C4'-P energy: -3.872 bonds (distance) P-C4' energy: -5.696 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -46.023666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.023666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.023666 (E_RNA) where: Base-Base interactions energy: -15.566 where: short stacking energy: -15.369 Base-Backbone interact. energy: -0.005 local terms energy: -30.453381 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -42.794997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.794997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.794997 (E_RNA) where: Base-Base interactions energy: -19.401 where: short stacking energy: -19.401 Base-Backbone interact. energy: -0.137 local terms energy: -23.256675 where: bonds (distance) C4'-P energy: -1.817 bonds (distance) P-C4' energy: -6.543 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -5.583 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: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -62.643834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.643834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.643834 (E_RNA) where: Base-Base interactions energy: -29.463 where: short stacking energy: -29.463 Base-Backbone interact. energy: -0.004 local terms energy: -33.177313 where: bonds (distance) C4'-P energy: -7.095 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -4.270 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: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -61.855306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.855306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.855306 (E_RNA) where: Base-Base interactions energy: -28.702 where: short stacking energy: -28.702 Base-Backbone interact. energy: -0.023 local terms energy: -33.130301 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -8.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -62.434080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.434080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.434080 (E_RNA) where: Base-Base interactions energy: -29.624 where: short stacking energy: -29.624 Base-Backbone interact. energy: -0.001 local terms energy: -32.809720 where: bonds (distance) C4'-P energy: -4.707 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -9.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -59.150970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.150970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.150970 (E_RNA) where: Base-Base interactions energy: -21.489 where: short stacking energy: -21.489 Base-Backbone interact. energy: -0.048 local terms energy: -37.614282 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -6.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -52.127641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.127641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.127641 (E_RNA) where: Base-Base interactions energy: -20.600 where: short stacking energy: -20.600 Base-Backbone interact. energy: -0.014 local terms energy: -31.513609 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.751 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: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -58.610829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.610829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.610829 (E_RNA) where: Base-Base interactions energy: -24.545 where: short stacking energy: -24.545 Base-Backbone interact. energy: -0.000 local terms energy: -34.065754 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -53.075283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.075283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.075283 (E_RNA) where: Base-Base interactions energy: -19.793 where: short stacking energy: -19.793 Base-Backbone interact. energy: -0.000 local terms energy: -33.282203 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -9.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -50.093499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.093499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.093499 (E_RNA) where: Base-Base interactions energy: -18.689 where: short stacking energy: -18.689 Base-Backbone interact. energy: -0.000 local terms energy: -31.403751 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.417 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -4.196 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: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -47.216374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.216374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.216374 (E_RNA) where: Base-Base interactions energy: -13.868 where: short stacking energy: -13.868 Base-Backbone interact. energy: -0.080 local terms energy: -33.268441 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -6.585 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: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -38.044845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.044845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.044845 (E_RNA) where: Base-Base interactions energy: -13.610 where: short stacking energy: -13.610 Base-Backbone interact. energy: -0.014 local terms energy: -24.421001 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: 0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -62.618770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.618770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.618770 (E_RNA) where: Base-Base interactions energy: -26.714 where: short stacking energy: -26.714 Base-Backbone interact. energy: -0.001 local terms energy: -35.903208 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -8.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -57.726240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.726240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.726240 (E_RNA) where: Base-Base interactions energy: -23.630 where: short stacking energy: -23.630 Base-Backbone interact. energy: -0.010 local terms energy: -34.086013 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -59.604589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.604589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.604589 (E_RNA) where: Base-Base interactions energy: -24.372 where: short stacking energy: -24.372 Base-Backbone interact. energy: -0.094 local terms energy: -35.138435 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: -6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -48.260823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.260823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.260823 (E_RNA) where: Base-Base interactions energy: -24.152 where: short stacking energy: -13.622 Base-Backbone interact. energy: -0.022 local terms energy: -24.087030 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -1.388 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: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -53.813366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.813366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.813366 (E_RNA) where: Base-Base interactions energy: -18.863 where: short stacking energy: -18.473 Base-Backbone interact. energy: -1.344 local terms energy: -33.606663 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -6.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -51.939388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.939388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.939388 (E_RNA) where: Base-Base interactions energy: -17.893 where: short stacking energy: -17.893 Base-Backbone interact. energy: -0.070 local terms energy: -33.976222 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -3.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -44.300980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.300980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.300980 (E_RNA) where: Base-Base interactions energy: -18.961 where: short stacking energy: -18.961 Base-Backbone interact. energy: 0.073 local terms energy: -25.412961 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -0.498 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -55.506126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.506126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.506126 (E_RNA) where: Base-Base interactions energy: -23.011 where: short stacking energy: -23.011 Base-Backbone interact. energy: -0.073 local terms energy: -32.422262 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -46.829736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.829736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.829736 (E_RNA) where: Base-Base interactions energy: -21.644 where: short stacking energy: -14.940 Base-Backbone interact. energy: -0.017 local terms energy: -25.168343 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -4.938 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -45.707826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.707826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.707826 (E_RNA) where: Base-Base interactions energy: -16.262 where: short stacking energy: -16.262 Base-Backbone interact. energy: -0.021 local terms energy: -29.425046 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -66.520569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.520569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.520569 (E_RNA) where: Base-Base interactions energy: -35.946 where: short stacking energy: -24.901 Base-Backbone interact. energy: -0.007 local terms energy: -30.568128 where: bonds (distance) C4'-P energy: -4.726 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -7.311 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: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -62.474967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.474967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.474967 (E_RNA) where: Base-Base interactions energy: -27.156 where: short stacking energy: -27.156 Base-Backbone interact. energy: -0.002 local terms energy: -35.316175 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -7.538 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: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -50.959946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.959946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.959946 (E_RNA) where: Base-Base interactions energy: -19.008 where: short stacking energy: -16.988 Base-Backbone interact. energy: -0.183 local terms energy: -31.768819 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -53.907221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.907221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.907221 (E_RNA) where: Base-Base interactions energy: -24.912 where: short stacking energy: -24.912 Base-Backbone interact. energy: -0.001 local terms energy: -28.993951 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -5.255 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: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -51.928727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.928727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.928727 (E_RNA) where: Base-Base interactions energy: -21.230 where: short stacking energy: -20.929 Base-Backbone interact. energy: 0.846 local terms energy: -31.545068 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -4.842 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: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -50.750172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.750172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.750172 (E_RNA) where: Base-Base interactions energy: -21.191 where: short stacking energy: -20.448 Base-Backbone interact. energy: -0.208 local terms energy: -29.351117 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -2.951 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: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -45.208241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.208241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.208241 (E_RNA) where: Base-Base interactions energy: -13.741 where: short stacking energy: -13.741 Base-Backbone interact. energy: -0.011 local terms energy: -31.456680 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -4.456 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: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -40.169004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.169004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.169004 (E_RNA) where: Base-Base interactions energy: -15.271 where: short stacking energy: -4.405 Base-Backbone interact. energy: -0.093 local terms energy: -24.804926 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -4.186 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: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -43.283217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.283217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.283217 (E_RNA) where: Base-Base interactions energy: -14.570 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.055 local terms energy: -28.658435 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.152 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: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -42.896872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.896872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.896872 (E_RNA) where: Base-Base interactions energy: -13.246 where: short stacking energy: -13.246 Base-Backbone interact. energy: -0.015 local terms energy: -29.635737 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.286 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -2.246 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: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -64.572268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.572268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.572268 (E_RNA) where: Base-Base interactions energy: -24.019 where: short stacking energy: -22.680 Base-Backbone interact. energy: -0.627 local terms energy: -39.925674 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -7.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -68.882991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.882991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.882991 (E_RNA) where: Base-Base interactions energy: -31.662 where: short stacking energy: -31.662 Base-Backbone interact. energy: -0.000 local terms energy: -37.220954 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -10.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -56.831385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.831385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.831385 (E_RNA) where: Base-Base interactions energy: -21.752 where: short stacking energy: -21.752 Base-Backbone interact. energy: -0.544 local terms energy: -34.535553 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -6.215 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: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -57.750349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.750349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.750349 (E_RNA) where: Base-Base interactions energy: -22.776 where: short stacking energy: -22.776 Base-Backbone interact. energy: -0.136 local terms energy: -34.838793 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -4.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -59.051156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.051156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.051156 (E_RNA) where: Base-Base interactions energy: -27.727 where: short stacking energy: -20.768 Base-Backbone interact. energy: -0.126 local terms energy: -31.198821 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.945 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: 6, replica: 10 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -49.348563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.348563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.348563 (E_RNA) where: Base-Base interactions energy: -21.057 where: short stacking energy: -21.057 Base-Backbone interact. energy: -0.079 local terms energy: -28.212792 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -41.637591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.637591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.637591 (E_RNA) where: Base-Base interactions energy: -15.029 where: short stacking energy: -10.369 Base-Backbone interact. energy: -0.141 local terms energy: -26.467165 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -0.133 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: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -46.192984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.192984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.192984 (E_RNA) where: Base-Base interactions energy: -18.793 where: short stacking energy: -18.793 Base-Backbone interact. energy: -0.000 local terms energy: -27.399773 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.873 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -57.170148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.170148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.170148 (E_RNA) where: Base-Base interactions energy: -22.969 where: short stacking energy: -22.969 Base-Backbone interact. energy: -0.001 local terms energy: -34.199866 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -6.348 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: 10, replica: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -40.836530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.836530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.836530 (E_RNA) where: Base-Base interactions energy: -11.643 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.241 local terms energy: -28.952961 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -5.456 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: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -74.054239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.054239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.054239 (E_RNA) where: Base-Base interactions energy: -41.551 where: short stacking energy: -20.893 Base-Backbone interact. energy: -0.379 local terms energy: -32.124696 where: bonds (distance) C4'-P energy: -6.909 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -6.482 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: 2, replica: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -56.436140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.436140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.436140 (E_RNA) where: Base-Base interactions energy: -33.133 where: short stacking energy: -13.386 Base-Backbone interact. energy: -0.086 local terms energy: -23.217291 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -0.959 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -51.935929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.935929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.935929 (E_RNA) where: Base-Base interactions energy: -26.931 where: short stacking energy: -19.972 Base-Backbone interact. energy: -0.012 local terms energy: -24.993132 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -4.978 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -66.432662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.432662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.432662 (E_RNA) where: Base-Base interactions energy: -36.653 where: short stacking energy: -20.245 Base-Backbone interact. energy: 1.652 local terms energy: -31.431481 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -1.842 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: 5 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -45.951180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.951180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.951180 (E_RNA) where: Base-Base interactions energy: -13.334 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.099 local terms energy: -32.518325 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -49.038905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.038905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.038905 (E_RNA) where: Base-Base interactions energy: -21.420 where: short stacking energy: -20.698 Base-Backbone interact. energy: -0.024 local terms energy: -27.595444 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.141 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -48.955315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.955315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.955315 (E_RNA) where: Base-Base interactions energy: -22.784 where: short stacking energy: -22.356 Base-Backbone interact. energy: -0.012 local terms energy: -26.158743 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -2.762 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -48.923194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.923194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.923194 (E_RNA) where: Base-Base interactions energy: -20.231 where: short stacking energy: -20.231 Base-Backbone interact. energy: -0.000 local terms energy: -28.691871 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -5.098 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -4.979 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: 9, replica: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -44.164193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.164193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.164193 (E_RNA) where: Base-Base interactions energy: -20.689 where: short stacking energy: -20.689 Base-Backbone interact. energy: -0.010 local terms energy: -23.465454 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -44.468702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.468702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.468702 (E_RNA) where: Base-Base interactions energy: -19.944 where: short stacking energy: -19.944 Base-Backbone interact. energy: -0.000 local terms energy: -24.525000 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -2.949 flat angles P-C4'-P energy: -2.245 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: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -67.442429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.442429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.442429 (E_RNA) where: Base-Base interactions energy: -32.980 where: short stacking energy: -23.797 Base-Backbone interact. energy: -0.499 local terms energy: -33.962865 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -52.634061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.634061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.634061 (E_RNA) where: Base-Base interactions energy: -20.006 where: short stacking energy: -18.224 Base-Backbone interact. energy: -2.070 local terms energy: -30.558486 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -5.743 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: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -61.296899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.296899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.296899 (E_RNA) where: Base-Base interactions energy: -28.706 where: short stacking energy: -28.706 Base-Backbone interact. energy: -0.009 local terms energy: -32.581861 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -4.780 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: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -62.040999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.040999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.040999 (E_RNA) where: Base-Base interactions energy: -27.285 where: short stacking energy: -27.285 Base-Backbone interact. energy: -0.003 local terms energy: -34.753274 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -58.168412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.168412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.168412 (E_RNA) where: Base-Base interactions energy: -26.259 where: short stacking energy: -26.259 Base-Backbone interact. energy: -0.002 local terms energy: -31.907213 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -7.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -55.738964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.738964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.738964 (E_RNA) where: Base-Base interactions energy: -23.361 where: short stacking energy: -19.067 Base-Backbone interact. energy: -0.001 local terms energy: -32.377032 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -41.159188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.159188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.159188 (E_RNA) where: Base-Base interactions energy: -16.178 where: short stacking energy: -16.178 Base-Backbone interact. energy: -0.091 local terms energy: -24.889539 where: bonds (distance) C4'-P energy: -4.893 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -49.949372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.949372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.949372 (E_RNA) where: Base-Base interactions energy: -23.177 where: short stacking energy: -23.177 Base-Backbone interact. energy: -0.057 local terms energy: -26.715720 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -2.810 flat angles P-C4'-P energy: -1.559 tors. eta vs tors. theta energy: -8.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -48.374864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.374864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.374864 (E_RNA) where: Base-Base interactions energy: -16.137 where: short stacking energy: -16.117 Base-Backbone interact. energy: -0.015 local terms energy: -32.223129 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -40.299990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.299990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.299990 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -12.233 Base-Backbone interact. energy: 0.020 local terms energy: -26.479765 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -5.033 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: 1, replica: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -79.650601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.650601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.650601 (E_RNA) where: Base-Base interactions energy: -42.063 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.000 local terms energy: -37.587598 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -64.054820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.054820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.054820 (E_RNA) where: Base-Base interactions energy: -29.914 where: short stacking energy: -20.711 Base-Backbone interact. energy: -0.040 local terms energy: -34.100444 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -61.819591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.819591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.819591 (E_RNA) where: Base-Base interactions energy: -33.423 where: short stacking energy: -19.295 Base-Backbone interact. energy: -0.143 local terms energy: -28.252904 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -68.887065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.887065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.887065 (E_RNA) where: Base-Base interactions energy: -32.271 where: short stacking energy: -20.900 Base-Backbone interact. energy: -0.130 local terms energy: -36.486973 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -7.059 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: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -60.421708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.421708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.421708 (E_RNA) where: Base-Base interactions energy: -23.106 where: short stacking energy: -23.106 Base-Backbone interact. energy: -0.004 local terms energy: -37.312636 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -5.187 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: 211 Temperature: 1.150000 Total energy: -51.656382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.656382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.656382 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -14.639 Base-Backbone interact. energy: -0.853 local terms energy: -29.186581 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -49.725345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.725345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.725345 (E_RNA) where: Base-Base interactions energy: -17.123 where: short stacking energy: -17.123 Base-Backbone interact. energy: -0.000 local terms energy: -32.602511 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -44.299470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.299470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.299470 (E_RNA) where: Base-Base interactions energy: -17.483 where: short stacking energy: -17.483 Base-Backbone interact. energy: -0.071 local terms energy: -26.745467 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -5.512 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: 9, replica: 4 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -42.000959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.000959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.000959 (E_RNA) where: Base-Base interactions energy: -12.637 where: short stacking energy: -12.357 Base-Backbone interact. energy: -0.045 local terms energy: -29.318993 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -0.988 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: 10, replica: 3 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -45.867113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.867113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.867113 (E_RNA) where: Base-Base interactions energy: -19.245 where: short stacking energy: -8.226 Base-Backbone interact. energy: -0.187 local terms energy: -26.435134 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -78.468349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.468349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.468349 (E_RNA) where: Base-Base interactions energy: -39.107 where: short stacking energy: -24.002 Base-Backbone interact. energy: -0.000 local terms energy: -39.361205 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -6.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -53.839943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.839943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.839943 (E_RNA) where: Base-Base interactions energy: -19.515 where: short stacking energy: -19.515 Base-Backbone interact. energy: -0.036 local terms energy: -34.288939 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -2.274 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: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -61.668699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.668699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.668699 (E_RNA) where: Base-Base interactions energy: -26.531 where: short stacking energy: -26.531 Base-Backbone interact. energy: -0.000 local terms energy: -35.136981 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -5.361 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: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -59.096395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.096395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.096395 (E_RNA) where: Base-Base interactions energy: -21.884 where: short stacking energy: -21.884 Base-Backbone interact. energy: -0.006 local terms energy: -37.206424 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -54.738483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.738483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.738483 (E_RNA) where: Base-Base interactions energy: -25.783 where: short stacking energy: -25.783 Base-Backbone interact. energy: -0.002 local terms energy: -28.953286 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -5.199 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -48.328371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.328371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.328371 (E_RNA) where: Base-Base interactions energy: -20.924 where: short stacking energy: -20.924 Base-Backbone interact. energy: -0.098 local terms energy: -27.306608 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -3.024 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: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -57.184548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.184548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.184548 (E_RNA) where: Base-Base interactions energy: -29.106 where: short stacking energy: -19.930 Base-Backbone interact. energy: -0.978 local terms energy: -27.100801 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -38.712318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.712318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.712318 (E_RNA) where: Base-Base interactions energy: -12.498 where: short stacking energy: -12.498 Base-Backbone interact. energy: -0.105 local terms energy: -26.109388 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -3.882 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: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -42.734115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.734115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.734115 (E_RNA) where: Base-Base interactions energy: -15.773 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.002 local terms energy: -26.959531 where: bonds (distance) C4'-P energy: -2.795 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -5.464 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: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -43.497189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.497189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.497189 (E_RNA) where: Base-Base interactions energy: -15.614 where: short stacking energy: -15.614 Base-Backbone interact. energy: -0.086 local terms energy: -27.796855 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -9.586 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -65.044654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.044654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.044654 (E_RNA) where: Base-Base interactions energy: -30.094 where: short stacking energy: -30.094 Base-Backbone interact. energy: -0.002 local terms energy: -34.948698 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.153 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -4.712 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: 2, replica: 6 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -58.180427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.180427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.180427 (E_RNA) where: Base-Base interactions energy: -26.043 where: short stacking energy: -26.043 Base-Backbone interact. energy: -0.005 local terms energy: -32.133108 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -4.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -56.309760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.309760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.309760 (E_RNA) where: Base-Base interactions energy: -29.096 where: short stacking energy: -29.096 Base-Backbone interact. energy: 0.786 local terms energy: -27.999423 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: 1.298 flat angles P-C4'-P energy: -5.120 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: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -55.915894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.915894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.915894 (E_RNA) where: Base-Base interactions energy: -27.260 where: short stacking energy: -21.667 Base-Backbone interact. energy: -0.099 local terms energy: -28.556654 where: bonds (distance) C4'-P energy: -2.104 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -4.330 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: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -60.323446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.323446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.323446 (E_RNA) where: Base-Base interactions energy: -24.799 where: short stacking energy: -24.758 Base-Backbone interact. energy: -0.003 local terms energy: -35.522161 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -4.838 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: 6, replica: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -50.599324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.599324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.599324 (E_RNA) where: Base-Base interactions energy: -27.925 where: short stacking energy: -15.364 Base-Backbone interact. energy: -0.121 local terms energy: -22.553221 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.888 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -2.908 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: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -50.347085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.347085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.347085 (E_RNA) where: Base-Base interactions energy: -23.851 where: short stacking energy: -19.320 Base-Backbone interact. energy: -0.002 local terms energy: -26.494880 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -6.255 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: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -49.580369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.580369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.580369 (E_RNA) where: Base-Base interactions energy: -19.328 where: short stacking energy: -13.837 Base-Backbone interact. energy: -0.001 local terms energy: -30.251442 where: bonds (distance) C4'-P energy: -4.194 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -5.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -42.079063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.079063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.079063 (E_RNA) where: Base-Base interactions energy: -21.406 where: short stacking energy: -21.406 Base-Backbone interact. energy: -0.000 local terms energy: -20.672631 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -0.915 tors. eta vs tors. theta energy: -4.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -41.608541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.608541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.608541 (E_RNA) where: Base-Base interactions energy: -12.450 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.006 local terms energy: -29.152897 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -5.982 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -74.336799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.336799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.336799 (E_RNA) where: Base-Base interactions energy: -39.573 where: short stacking energy: -36.945 Base-Backbone interact. energy: -0.000 local terms energy: -34.763451 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -3.347 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: 2 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -57.800564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.800564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.800564 (E_RNA) where: Base-Base interactions energy: -21.214 where: short stacking energy: -21.214 Base-Backbone interact. energy: -0.000 local terms energy: -36.586130 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -57.460227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.460227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.460227 (E_RNA) where: Base-Base interactions energy: -27.687 where: short stacking energy: -27.687 Base-Backbone interact. energy: -0.000 local terms energy: -29.773573 where: bonds (distance) C4'-P energy: -2.401 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -51.656664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.656664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.656664 (E_RNA) where: Base-Base interactions energy: -24.371 where: short stacking energy: -24.371 Base-Backbone interact. energy: -0.324 local terms energy: -26.961485 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -43.276883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.276883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.276883 (E_RNA) where: Base-Base interactions energy: -16.808 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.158 local terms energy: -26.311139 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -5.756 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: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -45.676533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.676533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.676533 (E_RNA) where: Base-Base interactions energy: -21.100 where: short stacking energy: -14.905 Base-Backbone interact. energy: -0.021 local terms energy: -24.554715 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -50.029661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.029661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.029661 (E_RNA) where: Base-Base interactions energy: -23.135 where: short stacking energy: -23.135 Base-Backbone interact. energy: -0.000 local terms energy: -26.893846 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -6.570 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: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -56.618154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.618154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.618154 (E_RNA) where: Base-Base interactions energy: -28.519 where: short stacking energy: -28.519 Base-Backbone interact. energy: -0.002 local terms energy: -28.097672 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -4.229 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -7.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -47.955434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.955434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.955434 (E_RNA) where: Base-Base interactions energy: -20.675 where: short stacking energy: -8.847 Base-Backbone interact. energy: -0.072 local terms energy: -27.208777 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -0.575 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: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -39.473305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.473305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.473305 (E_RNA) where: Base-Base interactions energy: -7.486 where: short stacking energy: -7.029 Base-Backbone interact. energy: -0.011 local terms energy: -31.976779 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -5.250 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: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -76.841515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.841515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.841515 (E_RNA) where: Base-Base interactions energy: -40.402 where: short stacking energy: -28.975 Base-Backbone interact. energy: -0.011 local terms energy: -36.427764 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -6.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -58.753701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.753701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.753701 (E_RNA) where: Base-Base interactions energy: -23.186 where: short stacking energy: -23.186 Base-Backbone interact. energy: 0.283 local terms energy: -35.850790 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -56.271304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.271304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.271304 (E_RNA) where: Base-Base interactions energy: -20.496 where: short stacking energy: -20.496 Base-Backbone interact. energy: -0.001 local terms energy: -35.773599 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -7.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -58.282545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.282545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.282545 (E_RNA) where: Base-Base interactions energy: -28.288 where: short stacking energy: -28.288 Base-Backbone interact. energy: -0.000 local terms energy: -29.994767 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -63.321891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.321891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.321891 (E_RNA) where: Base-Base interactions energy: -32.950 where: short stacking energy: -22.672 Base-Backbone interact. energy: -0.000 local terms energy: -30.371176 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -49.588791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.588791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.588791 (E_RNA) where: Base-Base interactions energy: -16.077 where: short stacking energy: -14.899 Base-Backbone interact. energy: -0.001 local terms energy: -33.511195 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.628 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -45.698924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.698924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.698924 (E_RNA) where: Base-Base interactions energy: -15.524 where: short stacking energy: -11.323 Base-Backbone interact. energy: -0.103 local terms energy: -30.072546 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -45.322175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.322175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.322175 (E_RNA) where: Base-Base interactions energy: -15.400 where: short stacking energy: -15.400 Base-Backbone interact. energy: -0.010 local terms energy: -29.912229 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -47.513921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.513921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.513921 (E_RNA) where: Base-Base interactions energy: -16.905 where: short stacking energy: -16.905 Base-Backbone interact. energy: -0.007 local terms energy: -30.602101 where: bonds (distance) C4'-P energy: -6.500 bonds (distance) P-C4' energy: -5.395 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -7.453 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: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -47.534060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.534060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.534060 (E_RNA) where: Base-Base interactions energy: -19.054 where: short stacking energy: -18.937 Base-Backbone interact. energy: -0.001 local terms energy: -28.479395 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -5.406 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -2.241 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: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -73.769884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.769884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.769884 (E_RNA) where: Base-Base interactions energy: -43.061 where: short stacking energy: -23.604 Base-Backbone interact. energy: 0.343 local terms energy: -31.052492 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -9.325 flat angles P-C4'-P energy: -4.961 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: 2, replica: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -60.567451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.567451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.567451 (E_RNA) where: Base-Base interactions energy: -28.880 where: short stacking energy: -24.846 Base-Backbone interact. energy: -0.029 local terms energy: -31.657939 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -60.355084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.355084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.355084 (E_RNA) where: Base-Base interactions energy: -31.200 where: short stacking energy: -28.105 Base-Backbone interact. energy: -0.001 local terms energy: -29.153975 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.024 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -8.048 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: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -63.596517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.596517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.596517 (E_RNA) where: Base-Base interactions energy: -29.310 where: short stacking energy: -20.799 Base-Backbone interact. energy: -0.000 local terms energy: -34.286558 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -7.148 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: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -54.277874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.277874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.277874 (E_RNA) where: Base-Base interactions energy: -21.088 where: short stacking energy: -21.088 Base-Backbone interact. energy: -0.073 local terms energy: -33.116758 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -5.883 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: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -63.920850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.920850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.920850 (E_RNA) where: Base-Base interactions energy: -27.400 where: short stacking energy: -27.055 Base-Backbone interact. energy: -0.000 local terms energy: -36.521312 where: bonds (distance) C4'-P energy: -6.649 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -7.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -42.281813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.281813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.281813 (E_RNA) where: Base-Base interactions energy: -13.248 where: short stacking energy: -13.248 Base-Backbone interact. energy: -0.149 local terms energy: -28.885314 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -52.798226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.798226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.798226 (E_RNA) where: Base-Base interactions energy: -29.044 where: short stacking energy: -20.739 Base-Backbone interact. energy: 0.238 local terms energy: -23.992079 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -45.159463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.159463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.159463 (E_RNA) where: Base-Base interactions energy: -15.662 where: short stacking energy: -15.662 Base-Backbone interact. energy: -0.012 local terms energy: -29.485866 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -3.371 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: 10, replica: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -45.503607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.503607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.503607 (E_RNA) where: Base-Base interactions energy: -16.091 where: short stacking energy: -16.091 Base-Backbone interact. energy: -0.082 local terms energy: -29.330682 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -5.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -79.178660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.178660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.178660 (E_RNA) where: Base-Base interactions energy: -46.480 where: short stacking energy: -33.073 Base-Backbone interact. energy: -0.028 local terms energy: -32.670996 where: bonds (distance) C4'-P energy: -4.670 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -5.781 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: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -58.772659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.772659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.772659 (E_RNA) where: Base-Base interactions energy: -28.975 where: short stacking energy: -15.770 Base-Backbone interact. energy: -0.052 local terms energy: -29.746347 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -58.370814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.370814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.370814 (E_RNA) where: Base-Base interactions energy: -26.739 where: short stacking energy: -26.263 Base-Backbone interact. energy: -0.011 local terms energy: -31.620517 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -49.951640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.951640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.951640 (E_RNA) where: Base-Base interactions energy: -16.409 where: short stacking energy: -16.409 Base-Backbone interact. energy: -0.000 local terms energy: -33.542681 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -50.353652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.353652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.353652 (E_RNA) where: Base-Base interactions energy: -17.714 where: short stacking energy: -17.714 Base-Backbone interact. energy: -0.011 local terms energy: -32.627879 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -54.092247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.092247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.092247 (E_RNA) where: Base-Base interactions energy: -23.038 where: short stacking energy: -22.803 Base-Backbone interact. energy: -0.000 local terms energy: -31.054665 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -5.229 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -8.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -43.091290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.091290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.091290 (E_RNA) where: Base-Base interactions energy: -19.627 where: short stacking energy: -19.627 Base-Backbone interact. energy: -0.055 local terms energy: -23.408747 where: bonds (distance) C4'-P energy: -3.149 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -1.910 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: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -48.203735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.203735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.203735 (E_RNA) where: Base-Base interactions energy: -18.211 where: short stacking energy: -16.688 Base-Backbone interact. energy: -0.009 local terms energy: -29.983408 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -2.683 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: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -41.389746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.389746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.389746 (E_RNA) where: Base-Base interactions energy: -22.233 where: short stacking energy: -22.233 Base-Backbone interact. energy: -0.006 local terms energy: -19.151375 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.011 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -2.122 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -37.472765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.472765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.472765 (E_RNA) where: Base-Base interactions energy: -14.906 where: short stacking energy: -14.906 Base-Backbone interact. energy: -0.000 local terms energy: -22.567080 where: bonds (distance) C4'-P energy: -3.144 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -1.688 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: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -68.432636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.432636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.432636 (E_RNA) where: Base-Base interactions energy: -28.877 where: short stacking energy: -28.877 Base-Backbone interact. energy: -0.000 local terms energy: -39.555716 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -9.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -73.995507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.995507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.995507 (E_RNA) where: Base-Base interactions energy: -36.197 where: short stacking energy: -26.866 Base-Backbone interact. energy: -0.059 local terms energy: -37.739090 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -9.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -51.545945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.545945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.545945 (E_RNA) where: Base-Base interactions energy: -21.100 where: short stacking energy: -21.100 Base-Backbone interact. energy: -0.003 local terms energy: -30.442146 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -3.030 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: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -48.794828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.794828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.794828 (E_RNA) where: Base-Base interactions energy: -17.706 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.060 local terms energy: -31.028968 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -52.175127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.175127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.175127 (E_RNA) where: Base-Base interactions energy: -24.118 where: short stacking energy: -20.314 Base-Backbone interact. energy: 0.569 local terms energy: -28.626004 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.866 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: 218 Temperature: 1.150000 Total energy: -47.691407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.691407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.691407 (E_RNA) where: Base-Base interactions energy: -20.886 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.018 local terms energy: -26.787445 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -0.903 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -50.756044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.756044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.756044 (E_RNA) where: Base-Base interactions energy: -20.739 where: short stacking energy: -20.739 Base-Backbone interact. energy: -0.001 local terms energy: -30.015638 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -5.879 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: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -46.150470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.150470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.150470 (E_RNA) where: Base-Base interactions energy: -20.140 where: short stacking energy: -17.717 Base-Backbone interact. energy: 1.645 local terms energy: -27.655688 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -1.004 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -49.579203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.579203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.579203 (E_RNA) where: Base-Base interactions energy: -17.845 where: short stacking energy: -17.845 Base-Backbone interact. energy: -0.003 local terms energy: -31.731339 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -34.185442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.185442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.185442 (E_RNA) where: Base-Base interactions energy: -8.931 where: short stacking energy: -8.931 Base-Backbone interact. energy: -0.059 local terms energy: -25.195517 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -6.017 flat angles C4'-P-C4' energy: -3.816 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -69.505512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.505512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.505512 (E_RNA) where: Base-Base interactions energy: -28.397 where: short stacking energy: -28.397 Base-Backbone interact. energy: -0.036 local terms energy: -41.071939 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -7.986 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: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -58.366123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.366123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.366123 (E_RNA) where: Base-Base interactions energy: -23.043 where: short stacking energy: -23.043 Base-Backbone interact. energy: -0.001 local terms energy: -35.322897 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -9.226 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -7.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -73.702522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.702522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.702522 (E_RNA) where: Base-Base interactions energy: -35.376 where: short stacking energy: -30.050 Base-Backbone interact. energy: -0.000 local terms energy: -38.326589 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -9.688 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: 219 Temperature: 1.050000 Total energy: -52.291257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.291257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.291257 (E_RNA) where: Base-Base interactions energy: -20.926 where: short stacking energy: -20.926 Base-Backbone interact. energy: -0.001 local terms energy: -31.364863 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -53.238612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.238612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.238612 (E_RNA) where: Base-Base interactions energy: -24.657 where: short stacking energy: -19.715 Base-Backbone interact. energy: -0.126 local terms energy: -28.456017 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -53.602212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.602212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.602212 (E_RNA) where: Base-Base interactions energy: -26.764 where: short stacking energy: -18.335 Base-Backbone interact. energy: -0.018 local terms energy: -26.820450 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -41.448759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.448759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.448759 (E_RNA) where: Base-Base interactions energy: -18.898 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.031 local terms energy: -22.519605 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -0.917 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: 8, replica: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -49.905297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.905297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.905297 (E_RNA) where: Base-Base interactions energy: -15.372 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.001 local terms energy: -34.531566 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.240 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -6.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -44.579327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.579327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.579327 (E_RNA) where: Base-Base interactions energy: -20.199 where: short stacking energy: -8.858 Base-Backbone interact. energy: -0.933 local terms energy: -23.446892 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -5.891 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -35.799307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.799307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.799307 (E_RNA) where: Base-Base interactions energy: -7.541 where: short stacking energy: -7.541 Base-Backbone interact. energy: -0.024 local terms energy: -28.233753 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -64.014812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.014812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.014812 (E_RNA) where: Base-Base interactions energy: -28.256 where: short stacking energy: -20.031 Base-Backbone interact. energy: -0.139 local terms energy: -35.620466 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -5.611 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: 2, replica: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -60.811459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.811459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.811459 (E_RNA) where: Base-Base interactions energy: -30.471 where: short stacking energy: -17.391 Base-Backbone interact. energy: -0.543 local terms energy: -29.798054 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -5.874 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: 3, replica: 1 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -58.542886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.542886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.542886 (E_RNA) where: Base-Base interactions energy: -23.397 where: short stacking energy: -23.397 Base-Backbone interact. energy: -0.001 local terms energy: -35.145230 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -58.598390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.598390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.598390 (E_RNA) where: Base-Base interactions energy: -21.488 where: short stacking energy: -21.488 Base-Backbone interact. energy: -0.020 local terms energy: -37.090006 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -45.385793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.385793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.385793 (E_RNA) where: Base-Base interactions energy: -16.527 where: short stacking energy: -11.413 Base-Backbone interact. energy: -0.127 local terms energy: -28.731421 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -53.112820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.112820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.112820 (E_RNA) where: Base-Base interactions energy: -22.429 where: short stacking energy: -11.682 Base-Backbone interact. energy: -0.443 local terms energy: -30.241603 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -51.972535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.972535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.972535 (E_RNA) where: Base-Base interactions energy: -20.112 where: short stacking energy: -16.074 Base-Backbone interact. energy: -0.010 local terms energy: -31.849713 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -4.267 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: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -48.125471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.125471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.125471 (E_RNA) where: Base-Base interactions energy: -20.127 where: short stacking energy: -20.127 Base-Backbone interact. energy: -0.084 local terms energy: -27.914224 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -2.914 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -46.733335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.733335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.733335 (E_RNA) where: Base-Base interactions energy: -15.854 where: short stacking energy: -15.854 Base-Backbone interact. energy: -0.307 local terms energy: -30.572754 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -39.043379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.043379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.043379 (E_RNA) where: Base-Base interactions energy: -14.393 where: short stacking energy: -8.657 Base-Backbone interact. energy: -0.131 local terms energy: -24.519146 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: 0.494 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: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -70.837165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.837165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.837165 (E_RNA) where: Base-Base interactions energy: -32.922 where: short stacking energy: -32.922 Base-Backbone interact. energy: -0.000 local terms energy: -37.915261 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -7.349 tors. eta vs tors. theta energy: -7.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -82.040242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.040242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.040242 (E_RNA) where: Base-Base interactions energy: -46.945 where: short stacking energy: -27.863 Base-Backbone interact. energy: 1.207 local terms energy: -36.303076 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.419 flat angles P-C4'-P energy: -5.221 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: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -53.893263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.893263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.893263 (E_RNA) where: Base-Base interactions energy: -25.569 where: short stacking energy: -23.686 Base-Backbone interact. energy: -0.000 local terms energy: -28.323814 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -6.596 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: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -52.173950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.173950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.173950 (E_RNA) where: Base-Base interactions energy: -24.161 where: short stacking energy: -13.422 Base-Backbone interact. energy: 0.316 local terms energy: -28.328757 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -7.018 tors. eta vs tors. theta energy: 0.971 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: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -59.229650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.229650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.229650 (E_RNA) where: Base-Base interactions energy: -25.001 where: short stacking energy: -25.001 Base-Backbone interact. energy: -0.000 local terms energy: -34.228403 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -4.094 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: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -44.157351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.157351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.157351 (E_RNA) where: Base-Base interactions energy: -16.096 where: short stacking energy: -16.096 Base-Backbone interact. energy: -0.082 local terms energy: -27.978975 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.091 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: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -44.475482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.475482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.475482 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -12.768 Base-Backbone interact. energy: -0.055 local terms energy: -31.652810 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -3.728 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: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -47.692069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.692069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.692069 (E_RNA) where: Base-Base interactions energy: -20.123 where: short stacking energy: -20.123 Base-Backbone interact. energy: -0.002 local terms energy: -27.567453 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -4.675 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: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -45.453012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.453012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.453012 (E_RNA) where: Base-Base interactions energy: -14.644 where: short stacking energy: -12.977 Base-Backbone interact. energy: -0.101 local terms energy: -30.708516 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -37.379627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.379627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.379627 (E_RNA) where: Base-Base interactions energy: -15.243 where: short stacking energy: -15.243 Base-Backbone interact. energy: -0.091 local terms energy: -22.045387 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -0.654 tors. eta vs tors. theta energy: -1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -63.828722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.828722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.828722 (E_RNA) where: Base-Base interactions energy: -33.517 where: short stacking energy: -21.477 Base-Backbone interact. energy: -0.039 local terms energy: -30.272469 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -4.703 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: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -68.561269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.561269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.561269 (E_RNA) where: Base-Base interactions energy: -31.932 where: short stacking energy: -21.306 Base-Backbone interact. energy: -0.143 local terms energy: -36.486000 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -7.118 tors. eta vs tors. theta energy: -5.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -56.381096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.381096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.381096 (E_RNA) where: Base-Base interactions energy: -32.946 where: short stacking energy: -24.713 Base-Backbone interact. energy: 0.996 local terms energy: -24.430909 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -3.112 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: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -50.807168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.807168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.807168 (E_RNA) where: Base-Base interactions energy: -25.078 where: short stacking energy: -15.466 Base-Backbone interact. energy: -0.022 local terms energy: -25.706684 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.752 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: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -54.211955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.211955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.211955 (E_RNA) where: Base-Base interactions energy: -26.378 where: short stacking energy: -13.343 Base-Backbone interact. energy: 1.089 local terms energy: -28.922975 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -51.121929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.121929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.121929 (E_RNA) where: Base-Base interactions energy: -23.483 where: short stacking energy: -18.745 Base-Backbone interact. energy: -0.000 local terms energy: -27.638593 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -3.708 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: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -47.753780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.753780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.753780 (E_RNA) where: Base-Base interactions energy: -18.865 where: short stacking energy: -18.865 Base-Backbone interact. energy: -0.053 local terms energy: -28.836576 where: bonds (distance) C4'-P energy: -7.406 bonds (distance) P-C4' energy: -5.797 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -44.562395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.562395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.562395 (E_RNA) where: Base-Base interactions energy: -19.067 where: short stacking energy: -19.067 Base-Backbone interact. energy: -0.007 local terms energy: -25.488311 where: bonds (distance) C4'-P energy: -5.770 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.890 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: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -45.607585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.607585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.607585 (E_RNA) where: Base-Base interactions energy: -16.844 where: short stacking energy: -16.844 Base-Backbone interact. energy: -0.000 local terms energy: -28.763312 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -2.506 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -48.577581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.577581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.577581 (E_RNA) where: Base-Base interactions energy: -17.432 where: short stacking energy: -15.631 Base-Backbone interact. energy: -0.009 local terms energy: -31.136698 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -5.690 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -60.436519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.436519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.436519 (E_RNA) where: Base-Base interactions energy: -29.310 where: short stacking energy: -18.233 Base-Backbone interact. energy: -0.053 local terms energy: -31.074152 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -6.461 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: 2, replica: 1 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -66.955807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.955807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.955807 (E_RNA) where: Base-Base interactions energy: -35.608 where: short stacking energy: -20.614 Base-Backbone interact. energy: -0.028 local terms energy: -31.319238 where: bonds (distance) C4'-P energy: -3.283 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -7.393 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: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -70.264729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.264729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.264729 (E_RNA) where: Base-Base interactions energy: -35.756 where: short stacking energy: -23.683 Base-Backbone interact. energy: -0.003 local terms energy: -34.506019 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -4.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -48.926174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.926174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.926174 (E_RNA) where: Base-Base interactions energy: -20.406 where: short stacking energy: -15.154 Base-Backbone interact. energy: -0.203 local terms energy: -28.317069 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -53.059421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.059421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.059421 (E_RNA) where: Base-Base interactions energy: -21.763 where: short stacking energy: -21.763 Base-Backbone interact. energy: -0.004 local terms energy: -31.293058 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -44.750230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.750230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.750230 (E_RNA) where: Base-Base interactions energy: -19.560 where: short stacking energy: -19.560 Base-Backbone interact. energy: 0.598 local terms energy: -25.787841 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -3.536 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: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -44.598106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.598106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.598106 (E_RNA) where: Base-Base interactions energy: -17.565 where: short stacking energy: -17.565 Base-Backbone interact. energy: -0.032 local terms energy: -27.000626 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -48.477375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.477375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.477375 (E_RNA) where: Base-Base interactions energy: -19.025 where: short stacking energy: -19.025 Base-Backbone interact. energy: -0.096 local terms energy: -29.355609 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -3.259 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -40.536685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.536685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.536685 (E_RNA) where: Base-Base interactions energy: -13.809 where: short stacking energy: -11.622 Base-Backbone interact. energy: -0.067 local terms energy: -26.661577 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: 2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -41.008406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.008406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.008406 (E_RNA) where: Base-Base interactions energy: -15.266 where: short stacking energy: -14.420 Base-Backbone interact. energy: -0.018 local terms energy: -25.723824 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: 0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -72.473480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.473480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.473480 (E_RNA) where: Base-Base interactions energy: -38.559 where: short stacking energy: -21.285 Base-Backbone interact. energy: -0.008 local terms energy: -33.905811 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -71.942549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.942549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.942549 (E_RNA) where: Base-Base interactions energy: -36.260 where: short stacking energy: -29.795 Base-Backbone interact. energy: -0.082 local terms energy: -35.599981 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -8.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -61.167965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.167965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.167965 (E_RNA) where: Base-Base interactions energy: -26.798 where: short stacking energy: -18.750 Base-Backbone interact. energy: -0.024 local terms energy: -34.345421 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -5.971 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: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -65.490162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.490162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.490162 (E_RNA) where: Base-Base interactions energy: -34.714 where: short stacking energy: -19.201 Base-Backbone interact. energy: -0.144 local terms energy: -30.632799 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -3.875 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: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -59.422424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.422424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.422424 (E_RNA) where: Base-Base interactions energy: -27.797 where: short stacking energy: -27.797 Base-Backbone interact. energy: -0.000 local terms energy: -31.624920 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -7.092 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: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -50.998875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.998875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.998875 (E_RNA) where: Base-Base interactions energy: -20.534 where: short stacking energy: -20.534 Base-Backbone interact. energy: -0.001 local terms energy: -30.463922 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -52.985916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.985916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.985916 (E_RNA) where: Base-Base interactions energy: -19.201 where: short stacking energy: -19.201 Base-Backbone interact. energy: -0.026 local terms energy: -33.758928 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -5.304 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: 8, replica: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -54.284880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.284880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.284880 (E_RNA) where: Base-Base interactions energy: -28.680 where: short stacking energy: -15.669 Base-Backbone interact. energy: -0.197 local terms energy: -25.408151 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -6.484 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -1.151 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -49.807920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.807920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.807920 (E_RNA) where: Base-Base interactions energy: -19.365 where: short stacking energy: -19.365 Base-Backbone interact. energy: -0.257 local terms energy: -30.185582 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -38.319068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.319068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.319068 (E_RNA) where: Base-Base interactions energy: -17.756 where: short stacking energy: -4.758 Base-Backbone interact. energy: -0.290 local terms energy: -20.272550 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: 0.565 tors. eta vs tors. theta energy: -0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -64.680375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.680375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.680375 (E_RNA) where: Base-Base interactions energy: -34.459 where: short stacking energy: -20.462 Base-Backbone interact. energy: 0.088 local terms energy: -30.309875 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -61.030271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.030271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.030271 (E_RNA) where: Base-Base interactions energy: -28.482 where: short stacking energy: -28.482 Base-Backbone interact. energy: -0.011 local terms energy: -32.537717 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -7.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -56.269613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.269613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.269613 (E_RNA) where: Base-Base interactions energy: -28.503 where: short stacking energy: -28.503 Base-Backbone interact. energy: -0.027 local terms energy: -27.739648 where: bonds (distance) C4'-P energy: -3.664 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -1.600 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: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -53.905399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.905399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.905399 (E_RNA) where: Base-Base interactions energy: -24.776 where: short stacking energy: -16.282 Base-Backbone interact. energy: -0.002 local terms energy: -29.127559 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -55.809403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.809403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.809403 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -23.405 Base-Backbone interact. energy: -0.014 local terms energy: -32.390314 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -8.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -48.436956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.436956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.436956 (E_RNA) where: Base-Base interactions energy: -20.709 where: short stacking energy: -20.709 Base-Backbone interact. energy: -0.059 local terms energy: -27.668374 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -45.568634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.568634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.568634 (E_RNA) where: Base-Base interactions energy: -23.675 where: short stacking energy: -14.642 Base-Backbone interact. energy: 1.250 local terms energy: -23.143052 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.371 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: 8, replica: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -43.879153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.879153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.879153 (E_RNA) where: Base-Base interactions energy: -19.897 where: short stacking energy: -9.294 Base-Backbone interact. energy: -0.109 local terms energy: -23.873118 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -0.594 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: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -42.125106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.125106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.125106 (E_RNA) where: Base-Base interactions energy: -15.825 where: short stacking energy: -15.058 Base-Backbone interact. energy: -0.007 local terms energy: -26.292259 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -45.154701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.154701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.154701 (E_RNA) where: Base-Base interactions energy: -18.899 where: short stacking energy: -18.899 Base-Backbone interact. energy: -0.016 local terms energy: -26.240206 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -1.592 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -64.290739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.290739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.290739 (E_RNA) where: Base-Base interactions energy: -29.380 where: short stacking energy: -29.380 Base-Backbone interact. energy: -0.007 local terms energy: -34.904181 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -6.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -63.107599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.107599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.107599 (E_RNA) where: Base-Base interactions energy: -26.631 where: short stacking energy: -26.631 Base-Backbone interact. energy: -0.000 local terms energy: -36.476540 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.807 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -6.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -57.284073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.284073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.284073 (E_RNA) where: Base-Base interactions energy: -21.800 where: short stacking energy: -21.800 Base-Backbone interact. energy: -0.001 local terms energy: -35.483042 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -5.585 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: 4, replica: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -64.311424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.311424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.311424 (E_RNA) where: Base-Base interactions energy: -29.870 where: short stacking energy: -18.651 Base-Backbone interact. energy: -0.009 local terms energy: -34.432581 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -3.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -64.936980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.936980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.936980 (E_RNA) where: Base-Base interactions energy: -26.104 where: short stacking energy: -26.104 Base-Backbone interact. energy: -0.000 local terms energy: -38.832846 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -8.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -57.985485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.985485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.985485 (E_RNA) where: Base-Base interactions energy: -25.754 where: short stacking energy: -24.734 Base-Backbone interact. energy: -0.002 local terms energy: -32.229683 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -4.649 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: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -47.821517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.821517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.821517 (E_RNA) where: Base-Base interactions energy: -16.150 where: short stacking energy: -16.150 Base-Backbone interact. energy: -0.000 local terms energy: -31.671535 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -4.520 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: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -45.502563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.502563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.502563 (E_RNA) where: Base-Base interactions energy: -24.522 where: short stacking energy: -15.720 Base-Backbone interact. energy: -0.000 local terms energy: -20.980907 where: bonds (distance) C4'-P energy: -3.283 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -2.685 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: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -43.149259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.149259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.149259 (E_RNA) where: Base-Base interactions energy: -13.818 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.094 local terms energy: -29.237309 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -4.557 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: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -50.770669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.770669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.770669 (E_RNA) where: Base-Base interactions energy: -23.289 where: short stacking energy: -23.289 Base-Backbone interact. energy: -0.258 local terms energy: -27.223130 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.619 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: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -78.701675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.701675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.701675 (E_RNA) where: Base-Base interactions energy: -36.903 where: short stacking energy: -36.903 Base-Backbone interact. energy: -0.000 local terms energy: -41.798200 where: bonds (distance) C4'-P energy: -5.751 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.729 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -12.058 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: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -61.156323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.156323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.156323 (E_RNA) where: Base-Base interactions energy: -26.067 where: short stacking energy: -26.067 Base-Backbone interact. energy: -0.094 local terms energy: -34.994783 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -7.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -54.519339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.519339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.519339 (E_RNA) where: Base-Base interactions energy: -24.905 where: short stacking energy: -22.638 Base-Backbone interact. energy: -0.171 local terms energy: -29.443323 where: bonds (distance) C4'-P energy: -6.341 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -59.478831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.478831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.478831 (E_RNA) where: Base-Base interactions energy: -34.130 where: short stacking energy: -27.049 Base-Backbone interact. energy: -0.147 local terms energy: -25.201477 where: bonds (distance) C4'-P energy: -4.384 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -55.939207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.939207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.939207 (E_RNA) where: Base-Base interactions energy: -25.676 where: short stacking energy: -25.676 Base-Backbone interact. energy: -0.001 local terms energy: -30.262155 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -56.783422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.783422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.783422 (E_RNA) where: Base-Base interactions energy: -23.103 where: short stacking energy: -23.103 Base-Backbone interact. energy: -0.000 local terms energy: -33.679972 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -9.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -53.634877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.634877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.634877 (E_RNA) where: Base-Base interactions energy: -23.858 where: short stacking energy: -17.660 Base-Backbone interact. energy: -0.126 local terms energy: -29.650895 where: bonds (distance) C4'-P energy: -5.360 bonds (distance) P-C4' energy: -6.909 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -52.852918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.852918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.852918 (E_RNA) where: Base-Base interactions energy: -21.798 where: short stacking energy: -19.488 Base-Backbone interact. energy: -0.117 local terms energy: -30.938273 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -4.745 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: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -49.043187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.043187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.043187 (E_RNA) where: Base-Base interactions energy: -20.334 where: short stacking energy: -19.590 Base-Backbone interact. energy: -0.031 local terms energy: -28.677923 where: bonds (distance) C4'-P energy: -3.908 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.720 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: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -46.094991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.094991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.094991 (E_RNA) where: Base-Base interactions energy: -14.756 where: short stacking energy: -14.756 Base-Backbone interact. energy: 0.180 local terms energy: -31.519153 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -62.836576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.836576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.836576 (E_RNA) where: Base-Base interactions energy: -27.888 where: short stacking energy: -27.888 Base-Backbone interact. energy: -0.011 local terms energy: -34.937501 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -55.740606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.740606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.740606 (E_RNA) where: Base-Base interactions energy: -27.114 where: short stacking energy: -23.356 Base-Backbone interact. energy: -0.010 local terms energy: -28.616384 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -7.331 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -2.311 tors. eta vs tors. theta energy: -5.289 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: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -56.913874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.913874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.913874 (E_RNA) where: Base-Base interactions energy: -25.557 where: short stacking energy: -16.079 Base-Backbone interact. energy: -0.002 local terms energy: -31.355337 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -56.552393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.552393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.552393 (E_RNA) where: Base-Base interactions energy: -29.532 where: short stacking energy: -15.104 Base-Backbone interact. energy: -0.046 local terms energy: -26.974609 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -4.156 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: 5, replica: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -50.892669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.892669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.892669 (E_RNA) where: Base-Base interactions energy: -18.733 where: short stacking energy: -18.239 Base-Backbone interact. energy: -0.050 local terms energy: -32.109783 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -46.318963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.318963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.318963 (E_RNA) where: Base-Base interactions energy: -18.759 where: short stacking energy: -18.759 Base-Backbone interact. energy: -0.012 local terms energy: -27.548096 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -4.120 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: 7, replica: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -42.598177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.598177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.598177 (E_RNA) where: Base-Base interactions energy: -14.062 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.283 local terms energy: -28.252675 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -3.507 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: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -42.138012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.138012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.138012 (E_RNA) where: Base-Base interactions energy: -16.610 where: short stacking energy: -15.542 Base-Backbone interact. energy: -0.019 local terms energy: -25.509372 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -41.581043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.581043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.581043 (E_RNA) where: Base-Base interactions energy: -14.779 where: short stacking energy: -13.391 Base-Backbone interact. energy: -0.109 local terms energy: -26.693273 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: 0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -42.117615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.117615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.117615 (E_RNA) where: Base-Base interactions energy: -16.364 where: short stacking energy: -16.364 Base-Backbone interact. energy: -1.317 local terms energy: -24.437294 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -5.870 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -62.714284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.714284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.714284 (E_RNA) where: Base-Base interactions energy: -26.111 where: short stacking energy: -25.067 Base-Backbone interact. energy: -0.005 local terms energy: -36.598462 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -70.092121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.092121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.092121 (E_RNA) where: Base-Base interactions energy: -39.679 where: short stacking energy: -21.999 Base-Backbone interact. energy: -0.000 local terms energy: -30.413024 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -65.202745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.202745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.202745 (E_RNA) where: Base-Base interactions energy: -27.045 where: short stacking energy: -27.045 Base-Backbone interact. energy: -0.000 local terms energy: -38.157534 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -8.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -53.273003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.273003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.273003 (E_RNA) where: Base-Base interactions energy: -25.776 where: short stacking energy: -21.734 Base-Backbone interact. energy: -0.497 local terms energy: -27.000258 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -65.924232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.924232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.924232 (E_RNA) where: Base-Base interactions energy: -30.311 where: short stacking energy: -30.309 Base-Backbone interact. energy: -0.000 local terms energy: -35.613449 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -4.451 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -9.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -46.965899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.965899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.965899 (E_RNA) where: Base-Base interactions energy: -18.441 where: short stacking energy: -15.146 Base-Backbone interact. energy: -0.118 local terms energy: -28.406956 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -8.851 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -45.274832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.274832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.274832 (E_RNA) where: Base-Base interactions energy: -18.201 where: short stacking energy: -18.201 Base-Backbone interact. energy: -0.084 local terms energy: -26.989434 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -4.088 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: 8, replica: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -48.269083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.269083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.269083 (E_RNA) where: Base-Base interactions energy: -18.619 where: short stacking energy: -17.208 Base-Backbone interact. energy: -0.002 local terms energy: -29.647588 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -3.389 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: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -35.757677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.757677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.757677 (E_RNA) where: Base-Base interactions energy: -9.179 where: short stacking energy: -5.786 Base-Backbone interact. energy: -0.050 local terms energy: -26.529120 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: 0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -41.127037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.127037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.127037 (E_RNA) where: Base-Base interactions energy: -13.460 where: short stacking energy: -13.460 Base-Backbone interact. energy: -0.098 local terms energy: -27.568169 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -68.676861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.676861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.676861 (E_RNA) where: Base-Base interactions energy: -34.555 where: short stacking energy: -30.382 Base-Backbone interact. energy: -0.057 local terms energy: -34.065307 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.840 flat angles C4'-P-C4' energy: -9.482 flat angles P-C4'-P energy: -5.072 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: 2, replica: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -66.118228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.118228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.118228 (E_RNA) where: Base-Base interactions energy: -30.566 where: short stacking energy: -30.566 Base-Backbone interact. energy: -0.000 local terms energy: -35.551317 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -4.206 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: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -59.792040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.792040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.792040 (E_RNA) where: Base-Base interactions energy: -22.840 where: short stacking energy: -22.840 Base-Backbone interact. energy: -0.000 local terms energy: -36.951865 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -8.601 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: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -57.198095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.198095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.198095 (E_RNA) where: Base-Base interactions energy: -24.102 where: short stacking energy: -21.892 Base-Backbone interact. energy: -0.001 local terms energy: -33.095824 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -7.165 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -6.330 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: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -48.551458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.551458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.551458 (E_RNA) where: Base-Base interactions energy: -18.671 where: short stacking energy: -17.446 Base-Backbone interact. energy: -0.004 local terms energy: -29.876618 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -5.168 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: 6, replica: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -59.796495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.796495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.796495 (E_RNA) where: Base-Base interactions energy: -26.483 where: short stacking energy: -19.009 Base-Backbone interact. energy: -0.000 local terms energy: -33.313553 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -8.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -56.661713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.661713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.661713 (E_RNA) where: Base-Base interactions energy: -24.313 where: short stacking energy: -24.313 Base-Backbone interact. energy: -0.006 local terms energy: -32.342204 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -7.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -52.125444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.125444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.125444 (E_RNA) where: Base-Base interactions energy: -21.406 where: short stacking energy: -21.406 Base-Backbone interact. energy: -0.048 local terms energy: -30.671227 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -42.258540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.258540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.258540 (E_RNA) where: Base-Base interactions energy: -14.103 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.105 local terms energy: -28.049800 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -1.054 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: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -42.547535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.547535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.547535 (E_RNA) where: Base-Base interactions energy: -14.313 where: short stacking energy: -14.313 Base-Backbone interact. energy: 0.606 local terms energy: -28.839686 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -4.592 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: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -73.526199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.526199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.526199 (E_RNA) where: Base-Base interactions energy: -36.474 where: short stacking energy: -26.411 Base-Backbone interact. energy: -0.035 local terms energy: -37.016694 where: bonds (distance) C4'-P energy: -8.101 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -5.685 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: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -64.646051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.646051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.646051 (E_RNA) where: Base-Base interactions energy: -27.377 where: short stacking energy: -27.377 Base-Backbone interact. energy: -0.000 local terms energy: -37.269108 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -7.849 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: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -61.096991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.096991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.096991 (E_RNA) where: Base-Base interactions energy: -26.777 where: short stacking energy: -26.777 Base-Backbone interact. energy: -0.000 local terms energy: -34.319832 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -7.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -50.351433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.351433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.351433 (E_RNA) where: Base-Base interactions energy: -18.238 where: short stacking energy: -18.238 Base-Backbone interact. energy: -0.005 local terms energy: -32.108437 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -5.362 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: 5, replica: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -51.233024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.233024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.233024 (E_RNA) where: Base-Base interactions energy: -20.649 where: short stacking energy: -20.649 Base-Backbone interact. energy: -0.000 local terms energy: -30.584064 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -55.327980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.327980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.327980 (E_RNA) where: Base-Base interactions energy: -22.323 where: short stacking energy: -22.323 Base-Backbone interact. energy: -0.001 local terms energy: -33.004614 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -9.192 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -6.707 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: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -56.664960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.664960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.664960 (E_RNA) where: Base-Base interactions energy: -23.550 where: short stacking energy: -15.288 Base-Backbone interact. energy: 0.211 local terms energy: -33.326430 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -58.481523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.481523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.481523 (E_RNA) where: Base-Base interactions energy: -25.910 where: short stacking energy: -24.806 Base-Backbone interact. energy: -0.042 local terms energy: -32.530007 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.375 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -5.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -43.097087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.097087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.097087 (E_RNA) where: Base-Base interactions energy: -15.678 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.448 local terms energy: -26.971436 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -3.915 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: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -53.615892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.615892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.615892 (E_RNA) where: Base-Base interactions energy: -18.730 where: short stacking energy: -18.730 Base-Backbone interact. energy: -0.004 local terms energy: -34.881826 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -7.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -67.726445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.726445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.726445 (E_RNA) where: Base-Base interactions energy: -34.091 where: short stacking energy: -24.481 Base-Backbone interact. energy: 0.649 local terms energy: -34.284304 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -5.204 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: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -63.674803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.674803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.674803 (E_RNA) where: Base-Base interactions energy: -34.235 where: short stacking energy: -23.605 Base-Backbone interact. energy: -0.117 local terms energy: -29.322292 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -1.341 tors. eta vs tors. theta energy: -3.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -55.301582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.301582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.301582 (E_RNA) where: Base-Base interactions energy: -20.323 where: short stacking energy: -21.560 Base-Backbone interact. energy: -0.012 local terms energy: -34.966644 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -6.670 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: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -43.676672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.676672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.676672 (E_RNA) where: Base-Base interactions energy: -17.334 where: short stacking energy: -17.334 Base-Backbone interact. energy: 1.372 local terms energy: -27.714379 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -2.090 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -54.891375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.891375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.891375 (E_RNA) where: Base-Base interactions energy: -24.217 where: short stacking energy: -18.670 Base-Backbone interact. energy: -0.422 local terms energy: -30.251615 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -8.748 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -46.700827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.700827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.700827 (E_RNA) where: Base-Base interactions energy: -17.684 where: short stacking energy: -17.684 Base-Backbone interact. energy: -0.097 local terms energy: -28.919397 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.292 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: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -49.396049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.396049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.396049 (E_RNA) where: Base-Base interactions energy: -17.198 where: short stacking energy: -16.989 Base-Backbone interact. energy: -0.010 local terms energy: -32.187379 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -46.270509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.270509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.270509 (E_RNA) where: Base-Base interactions energy: -18.877 where: short stacking energy: -18.877 Base-Backbone interact. energy: -0.011 local terms energy: -27.382567 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -7.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -37.967599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.967599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.967599 (E_RNA) where: Base-Base interactions energy: -11.180 where: short stacking energy: -11.073 Base-Backbone interact. energy: -0.204 local terms energy: -26.583919 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: 1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -40.400315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.400315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.400315 (E_RNA) where: Base-Base interactions energy: -12.555 where: short stacking energy: -12.555 Base-Backbone interact. energy: -0.004 local terms energy: -27.842042 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -4.489 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: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -72.554281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.554281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.554281 (E_RNA) where: Base-Base interactions energy: -35.809 where: short stacking energy: -23.885 Base-Backbone interact. energy: -0.001 local terms energy: -36.744849 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -59.186131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.186131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.186131 (E_RNA) where: Base-Base interactions energy: -32.271 where: short stacking energy: -14.311 Base-Backbone interact. energy: -0.371 local terms energy: -26.544349 where: bonds (distance) C4'-P energy: -7.654 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -54.710568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.710568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.710568 (E_RNA) where: Base-Base interactions energy: -22.296 where: short stacking energy: -22.296 Base-Backbone interact. energy: -0.761 local terms energy: -31.653113 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -55.273940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.273940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.273940 (E_RNA) where: Base-Base interactions energy: -28.348 where: short stacking energy: -24.308 Base-Backbone interact. energy: -0.025 local terms energy: -26.901409 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -1.428 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -52.779265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.779265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.779265 (E_RNA) where: Base-Base interactions energy: -21.843 where: short stacking energy: -18.498 Base-Backbone interact. energy: -0.000 local terms energy: -30.936109 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -52.156377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.156377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.156377 (E_RNA) where: Base-Base interactions energy: -23.933 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.141 local terms energy: -28.082490 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -4.148 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: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -42.846378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.846378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.846378 (E_RNA) where: Base-Base interactions energy: -19.967 where: short stacking energy: -9.007 Base-Backbone interact. energy: -0.207 local terms energy: -22.671994 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: 0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -42.407899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.407899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.407899 (E_RNA) where: Base-Base interactions energy: -18.253 where: short stacking energy: -18.253 Base-Backbone interact. energy: -0.037 local terms energy: -24.118293 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -46.218341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.218341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.218341 (E_RNA) where: Base-Base interactions energy: -16.842 where: short stacking energy: -16.842 Base-Backbone interact. energy: -0.015 local terms energy: -29.361947 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -4.357 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: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -40.465961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.465961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.465961 (E_RNA) where: Base-Base interactions energy: -19.242 where: short stacking energy: -19.242 Base-Backbone interact. energy: 1.944 local terms energy: -23.168060 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -2.059 flat angles P-C4'-P energy: -6.659 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: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -65.842068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.842068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.842068 (E_RNA) where: Base-Base interactions energy: -38.460 where: short stacking energy: -18.620 Base-Backbone interact. energy: -0.001 local terms energy: -27.381501 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.925 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: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -71.005378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.005378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.005378 (E_RNA) where: Base-Base interactions energy: -38.450 where: short stacking energy: -26.819 Base-Backbone interact. energy: -0.092 local terms energy: -32.463377 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.414 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -56.624150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.624150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.624150 (E_RNA) where: Base-Base interactions energy: -20.414 where: short stacking energy: -20.414 Base-Backbone interact. energy: -0.000 local terms energy: -36.210162 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -7.698 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: 4, replica: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -54.088061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.088061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.088061 (E_RNA) where: Base-Base interactions energy: -22.282 where: short stacking energy: -19.288 Base-Backbone interact. energy: -0.119 local terms energy: -31.687371 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -5.493 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: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -56.146747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.146747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.146747 (E_RNA) where: Base-Base interactions energy: -30.995 where: short stacking energy: -19.789 Base-Backbone interact. energy: -0.827 local terms energy: -24.324351 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -1.443 flat angles P-C4'-P energy: -3.192 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: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -56.070625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.070625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.070625 (E_RNA) where: Base-Base interactions energy: -22.713 where: short stacking energy: -22.713 Base-Backbone interact. energy: -0.000 local terms energy: -33.357878 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -4.049 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: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -46.625430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.625430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.625430 (E_RNA) where: Base-Base interactions energy: -20.487 where: short stacking energy: -16.397 Base-Backbone interact. energy: -0.006 local terms energy: -26.132395 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.918 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -43.712760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.712760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.712760 (E_RNA) where: Base-Base interactions energy: -17.751 where: short stacking energy: -16.200 Base-Backbone interact. energy: -0.195 local terms energy: -25.767702 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: 0.054 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: 4 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -51.373446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.373446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.373446 (E_RNA) where: Base-Base interactions energy: -22.403 where: short stacking energy: -21.867 Base-Backbone interact. energy: -0.001 local terms energy: -28.969562 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -42.814473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.814473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.814473 (E_RNA) where: Base-Base interactions energy: -13.809 where: short stacking energy: -13.809 Base-Backbone interact. energy: -0.118 local terms energy: -28.887595 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -5.300 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: 1, replica: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -64.989085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.989085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.989085 (E_RNA) where: Base-Base interactions energy: -34.603 where: short stacking energy: -15.693 Base-Backbone interact. energy: -0.011 local terms energy: -30.374894 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -4.390 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: 2, replica: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -72.357178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.357178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.357178 (E_RNA) where: Base-Base interactions energy: -33.807 where: short stacking energy: -33.807 Base-Backbone interact. energy: -0.000 local terms energy: -38.550346 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -11.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -50.688657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.688657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.688657 (E_RNA) where: Base-Base interactions energy: -20.902 where: short stacking energy: -20.902 Base-Backbone interact. energy: -0.012 local terms energy: -29.775193 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -3.913 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: 4, replica: 3 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -61.065010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.065010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.065010 (E_RNA) where: Base-Base interactions energy: -27.962 where: short stacking energy: -27.274 Base-Backbone interact. energy: -0.001 local terms energy: -33.102099 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -44.776202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.776202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.776202 (E_RNA) where: Base-Base interactions energy: -18.368 where: short stacking energy: -16.882 Base-Backbone interact. energy: -0.106 local terms energy: -26.302413 where: bonds (distance) C4'-P energy: -5.009 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -3.829 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: 6, replica: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -64.318829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.318829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.318829 (E_RNA) where: Base-Base interactions energy: -33.650 where: short stacking energy: -19.150 Base-Backbone interact. energy: -0.000 local terms energy: -30.668490 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -5.517 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: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -46.659916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.659916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.659916 (E_RNA) where: Base-Base interactions energy: -17.180 where: short stacking energy: -17.180 Base-Backbone interact. energy: -0.000 local terms energy: -29.479914 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -55.266423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.266423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.266423 (E_RNA) where: Base-Base interactions energy: -25.709 where: short stacking energy: -15.221 Base-Backbone interact. energy: -0.359 local terms energy: -29.198179 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -41.520390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.520390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.520390 (E_RNA) where: Base-Base interactions energy: -17.982 where: short stacking energy: -9.471 Base-Backbone interact. energy: -0.090 local terms energy: -23.448086 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -3.713 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -47.720150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.720150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.720150 (E_RNA) where: Base-Base interactions energy: -20.715 where: short stacking energy: -17.242 Base-Backbone interact. energy: -0.017 local terms energy: -26.988992 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -59.943593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.943593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.943593 (E_RNA) where: Base-Base interactions energy: -24.932 where: short stacking energy: -24.792 Base-Backbone interact. energy: -0.007 local terms energy: -35.004533 where: bonds (distance) C4'-P energy: -6.279 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -8.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -65.316319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.316319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.316319 (E_RNA) where: Base-Base interactions energy: -33.142 where: short stacking energy: -21.700 Base-Backbone interact. energy: -0.394 local terms energy: -31.780561 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -6.187 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: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -76.446719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.446719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.446719 (E_RNA) where: Base-Base interactions energy: -38.776 where: short stacking energy: -25.590 Base-Backbone interact. energy: -0.001 local terms energy: -37.670280 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.606 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -54.716624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.716624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.716624 (E_RNA) where: Base-Base interactions energy: -21.260 where: short stacking energy: -21.260 Base-Backbone interact. energy: -0.108 local terms energy: -33.347889 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -6.478 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -6.073 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: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -51.887957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.887957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.887957 (E_RNA) where: Base-Base interactions energy: -23.699 where: short stacking energy: -18.670 Base-Backbone interact. energy: -0.027 local terms energy: -28.162217 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -0.063 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -52.191797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.191797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.191797 (E_RNA) where: Base-Base interactions energy: -21.194 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.071 local terms energy: -30.926582 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -5.577 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: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -44.728822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.728822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.728822 (E_RNA) where: Base-Base interactions energy: -13.164 where: short stacking energy: -13.164 Base-Backbone interact. energy: -0.023 local terms energy: -31.541942 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -52.928328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.928328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.928328 (E_RNA) where: Base-Base interactions energy: -26.633 where: short stacking energy: -15.830 Base-Backbone interact. energy: -0.066 local terms energy: -26.230263 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -40.081785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.081785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.081785 (E_RNA) where: Base-Base interactions energy: -13.924 where: short stacking energy: -7.461 Base-Backbone interact. energy: 0.463 local terms energy: -26.620307 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -40.039066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.039066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.039066 (E_RNA) where: Base-Base interactions energy: -11.817 where: short stacking energy: -11.817 Base-Backbone interact. energy: -0.050 local terms energy: -28.172031 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -7.291 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -67.906656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.906656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.906656 (E_RNA) where: Base-Base interactions energy: -31.502 where: short stacking energy: -31.502 Base-Backbone interact. energy: -0.000 local terms energy: -36.404442 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -57.011260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.011260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.011260 (E_RNA) where: Base-Base interactions energy: -26.263 where: short stacking energy: -26.263 Base-Backbone interact. energy: -0.001 local terms energy: -30.746663 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -4.231 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: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -68.926398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.926398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.926398 (E_RNA) where: Base-Base interactions energy: -35.824 where: short stacking energy: -25.219 Base-Backbone interact. energy: -0.523 local terms energy: -32.578917 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -4.848 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: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -53.516019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.516019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.516019 (E_RNA) where: Base-Base interactions energy: -21.128 where: short stacking energy: -21.128 Base-Backbone interact. energy: -0.033 local terms energy: -32.354807 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -49.269564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.269564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.269564 (E_RNA) where: Base-Base interactions energy: -18.457 where: short stacking energy: -18.457 Base-Backbone interact. energy: -0.196 local terms energy: -30.616734 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -2.248 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: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -48.295355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.295355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.295355 (E_RNA) where: Base-Base interactions energy: -17.452 where: short stacking energy: -17.452 Base-Backbone interact. energy: -0.036 local terms energy: -30.807264 where: bonds (distance) C4'-P energy: -5.217 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -50.438547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.438547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.438547 (E_RNA) where: Base-Base interactions energy: -22.489 where: short stacking energy: -22.489 Base-Backbone interact. energy: -0.025 local terms energy: -27.925079 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -6.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -44.736984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.736984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.736984 (E_RNA) where: Base-Base interactions energy: -12.979 where: short stacking energy: -12.979 Base-Backbone interact. energy: -0.101 local terms energy: -31.657381 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.924 flat angles P-C4'-P energy: -3.003 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: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -40.407966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.407966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.407966 (E_RNA) where: Base-Base interactions energy: -12.942 where: short stacking energy: -12.942 Base-Backbone interact. energy: -0.149 local terms energy: -27.316516 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -35.135291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.135291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.135291 (E_RNA) where: Base-Base interactions energy: -12.341 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.066 local terms energy: -22.728156 where: bonds (distance) C4'-P energy: -2.259 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -5.697 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: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -67.166876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.166876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.166876 (E_RNA) where: Base-Base interactions energy: -31.226 where: short stacking energy: -31.226 Base-Backbone interact. energy: -0.000 local terms energy: -35.940813 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -5.942 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: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -59.924908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.924908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.924908 (E_RNA) where: Base-Base interactions energy: -25.670 where: short stacking energy: -24.226 Base-Backbone interact. energy: -0.000 local terms energy: -34.254239 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -3.978 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: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -60.931311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.931311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.931311 (E_RNA) where: Base-Base interactions energy: -28.500 where: short stacking energy: -24.005 Base-Backbone interact. energy: -0.016 local terms energy: -32.415412 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -4.401 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: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -54.308745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.308745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.308745 (E_RNA) where: Base-Base interactions energy: -21.135 where: short stacking energy: -21.135 Base-Backbone interact. energy: -0.007 local terms energy: -33.166407 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -9.338 flat angles P-C4'-P energy: -6.219 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: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -50.381670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.381670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.381670 (E_RNA) where: Base-Base interactions energy: -19.890 where: short stacking energy: -19.123 Base-Backbone interact. energy: -0.032 local terms energy: -30.460316 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -3.774 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: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -48.205114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.205114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.205114 (E_RNA) where: Base-Base interactions energy: -17.793 where: short stacking energy: -17.793 Base-Backbone interact. energy: -0.001 local terms energy: -30.411715 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -46.897183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.897183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.897183 (E_RNA) where: Base-Base interactions energy: -17.930 where: short stacking energy: -17.930 Base-Backbone interact. energy: -0.033 local terms energy: -28.933270 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -5.567 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: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -44.429104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.429104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.429104 (E_RNA) where: Base-Base interactions energy: -16.637 where: short stacking energy: -10.458 Base-Backbone interact. energy: -0.107 local terms energy: -27.685370 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -2.458 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: 9, replica: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -44.583579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.583579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.583579 (E_RNA) where: Base-Base interactions energy: -12.631 where: short stacking energy: -12.631 Base-Backbone interact. energy: -0.000 local terms energy: -31.952015 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -38.194746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.194746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.194746 (E_RNA) where: Base-Base interactions energy: -10.918 where: short stacking energy: -10.918 Base-Backbone interact. energy: -0.023 local terms energy: -27.253640 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: 0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -67.672354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.672354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.672354 (E_RNA) where: Base-Base interactions energy: -29.312 where: short stacking energy: -29.312 Base-Backbone interact. energy: -0.008 local terms energy: -38.352944 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -5.509 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: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -72.070696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.070696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.070696 (E_RNA) where: Base-Base interactions energy: -32.681 where: short stacking energy: -32.681 Base-Backbone interact. energy: -0.000 local terms energy: -39.389811 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -57.649096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.649096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.649096 (E_RNA) where: Base-Base interactions energy: -26.248 where: short stacking energy: -26.248 Base-Backbone interact. energy: -0.001 local terms energy: -31.400097 where: bonds (distance) C4'-P energy: -1.817 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -8.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -59.765084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.765084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.765084 (E_RNA) where: Base-Base interactions energy: -24.181 where: short stacking energy: -24.181 Base-Backbone interact. energy: -0.007 local terms energy: -35.577202 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -6.971 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: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -52.278692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.278692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.278692 (E_RNA) where: Base-Base interactions energy: -20.185 where: short stacking energy: -20.185 Base-Backbone interact. energy: -0.019 local terms energy: -32.074093 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -4.684 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: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -47.186403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.186403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.186403 (E_RNA) where: Base-Base interactions energy: -15.685 where: short stacking energy: -15.685 Base-Backbone interact. energy: -0.094 local terms energy: -31.407362 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.494 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -5.878 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: 7, replica: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -51.214575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.214575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.214575 (E_RNA) where: Base-Base interactions energy: -19.332 where: short stacking energy: -19.332 Base-Backbone interact. energy: 1.677 local terms energy: -33.559041 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -5.680 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: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -42.124882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.124882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.124882 (E_RNA) where: Base-Base interactions energy: -11.228 where: short stacking energy: -11.228 Base-Backbone interact. energy: -0.070 local terms energy: -30.827037 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -44.456095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.456095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.456095 (E_RNA) where: Base-Base interactions energy: -13.114 where: short stacking energy: -13.114 Base-Backbone interact. energy: -0.111 local terms energy: -31.231295 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.372 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: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -48.151718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.151718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.151718 (E_RNA) where: Base-Base interactions energy: -20.641 where: short stacking energy: -20.641 Base-Backbone interact. energy: -0.000 local terms energy: -27.510772 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -67.238034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.238034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.238034 (E_RNA) where: Base-Base interactions energy: -27.341 where: short stacking energy: -27.341 Base-Backbone interact. energy: -0.000 local terms energy: -39.897416 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -6.564 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: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -68.278204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.278204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.278204 (E_RNA) where: Base-Base interactions energy: -31.564 where: short stacking energy: -24.912 Base-Backbone interact. energy: -0.000 local terms energy: -36.714247 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -8.790 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: 3, replica: 4 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -62.364949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.364949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.364949 (E_RNA) where: Base-Base interactions energy: -31.691 where: short stacking energy: -20.856 Base-Backbone interact. energy: 0.682 local terms energy: -31.355596 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -56.664434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.664434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.664434 (E_RNA) where: Base-Base interactions energy: -25.017 where: short stacking energy: -21.921 Base-Backbone interact. energy: -0.009 local terms energy: -31.637668 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -51.065323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.065323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.065323 (E_RNA) where: Base-Base interactions energy: -21.939 where: short stacking energy: -21.939 Base-Backbone interact. energy: -0.000 local terms energy: -29.126124 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -6.444 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -58.531928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.531928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.531928 (E_RNA) where: Base-Base interactions energy: -25.614 where: short stacking energy: -25.613 Base-Backbone interact. energy: -0.069 local terms energy: -32.848770 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -50.123091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.123091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.123091 (E_RNA) where: Base-Base interactions energy: -22.381 where: short stacking energy: -22.381 Base-Backbone interact. energy: 0.146 local terms energy: -27.888473 where: bonds (distance) C4'-P energy: -4.826 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.346 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -40.997130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.997130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.997130 (E_RNA) where: Base-Base interactions energy: -16.270 where: short stacking energy: -16.270 Base-Backbone interact. energy: -0.007 local terms energy: -24.720268 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -4.457 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -0.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -43.370399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.370399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.370399 (E_RNA) where: Base-Base interactions energy: -13.723 where: short stacking energy: -13.723 Base-Backbone interact. energy: -0.088 local terms energy: -29.559417 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -45.986878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.986878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.986878 (E_RNA) where: Base-Base interactions energy: -14.148 where: short stacking energy: -14.148 Base-Backbone interact. energy: -0.089 local terms energy: -31.749652 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -4.127 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: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -66.224909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.224909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.224909 (E_RNA) where: Base-Base interactions energy: -34.110 where: short stacking energy: -21.170 Base-Backbone interact. energy: -0.227 local terms energy: -31.887842 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -5.372 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: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -61.170792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.170792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.170792 (E_RNA) where: Base-Base interactions energy: -32.203 where: short stacking energy: -19.086 Base-Backbone interact. energy: -0.396 local terms energy: -28.571481 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -48.239786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.239786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.239786 (E_RNA) where: Base-Base interactions energy: -17.104 where: short stacking energy: -14.917 Base-Backbone interact. energy: -0.036 local terms energy: -31.099808 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -6.357 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: 4, replica: 1 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -59.035223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.035223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.035223 (E_RNA) where: Base-Base interactions energy: -24.018 where: short stacking energy: -24.018 Base-Backbone interact. energy: -0.025 local terms energy: -34.992228 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -8.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -49.231049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.231049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.231049 (E_RNA) where: Base-Base interactions energy: -17.014 where: short stacking energy: -17.014 Base-Backbone interact. energy: -0.011 local terms energy: -32.206644 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -5.921 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: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -56.564171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.564171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.564171 (E_RNA) where: Base-Base interactions energy: -28.891 where: short stacking energy: -12.903 Base-Backbone interact. energy: -0.000 local terms energy: -27.673223 where: bonds (distance) C4'-P energy: -5.046 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -46.003454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.003454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.003454 (E_RNA) where: Base-Base interactions energy: -19.663 where: short stacking energy: -15.942 Base-Backbone interact. energy: 0.304 local terms energy: -26.644341 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.997 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -5.712 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: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -41.128104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.128104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.128104 (E_RNA) where: Base-Base interactions energy: -15.508 where: short stacking energy: -15.508 Base-Backbone interact. energy: -0.119 local terms energy: -25.501030 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -43.587980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.587980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.587980 (E_RNA) where: Base-Base interactions energy: -16.783 where: short stacking energy: -14.541 Base-Backbone interact. energy: -0.019 local terms energy: -26.786138 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -1.180 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: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -38.499725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.499725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.499725 (E_RNA) where: Base-Base interactions energy: -14.324 where: short stacking energy: -14.324 Base-Backbone interact. energy: -0.117 local terms energy: -24.058864 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -60.421274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.421274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.421274 (E_RNA) where: Base-Base interactions energy: -31.872 where: short stacking energy: -11.700 Base-Backbone interact. energy: -0.293 local terms energy: -28.256113 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -6.200 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: 2, replica: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -67.617623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.617623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.617623 (E_RNA) where: Base-Base interactions energy: -34.099 where: short stacking energy: -20.138 Base-Backbone interact. energy: -0.183 local terms energy: -33.336458 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -6.654 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: 3, replica: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -59.429661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.429661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.429661 (E_RNA) where: Base-Base interactions energy: -25.085 where: short stacking energy: -25.085 Base-Backbone interact. energy: -0.000 local terms energy: -34.345013 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -5.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -54.611212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.611212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.611212 (E_RNA) where: Base-Base interactions energy: -21.955 where: short stacking energy: -21.955 Base-Backbone interact. energy: -0.000 local terms energy: -32.655887 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -3.850 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: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -55.293064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.293064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.293064 (E_RNA) where: Base-Base interactions energy: -20.660 where: short stacking energy: -15.748 Base-Backbone interact. energy: -0.001 local terms energy: -34.632240 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -52.030292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.030292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.030292 (E_RNA) where: Base-Base interactions energy: -21.377 where: short stacking energy: -21.377 Base-Backbone interact. energy: -0.000 local terms energy: -30.652730 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -7.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -43.560803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.560803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.560803 (E_RNA) where: Base-Base interactions energy: -16.442 where: short stacking energy: -16.442 Base-Backbone interact. energy: -0.192 local terms energy: -26.926429 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -5.597 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: 242 Temperature: 1.250000 Total energy: -48.863394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.863394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.863394 (E_RNA) where: Base-Base interactions energy: -17.166 where: short stacking energy: -17.166 Base-Backbone interact. energy: -0.000 local terms energy: -31.697310 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -52.880738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.880738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.880738 (E_RNA) where: Base-Base interactions energy: -20.093 where: short stacking energy: -20.093 Base-Backbone interact. energy: -0.000 local terms energy: -32.788050 where: bonds (distance) C4'-P energy: -4.553 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -7.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -45.571866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.571866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.571866 (E_RNA) where: Base-Base interactions energy: -18.965 where: short stacking energy: -15.101 Base-Backbone interact. energy: -0.036 local terms energy: -26.570686 where: bonds (distance) C4'-P energy: -4.347 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -69.592159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.592159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.592159 (E_RNA) where: Base-Base interactions energy: -33.273 where: short stacking energy: -33.273 Base-Backbone interact. energy: -0.000 local terms energy: -36.319155 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -6.422 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: 2, replica: 1 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -65.914777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.914777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.914777 (E_RNA) where: Base-Base interactions energy: -23.309 where: short stacking energy: -23.309 Base-Backbone interact. energy: -0.000 local terms energy: -42.605592 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -10.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -59.086120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.086120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.086120 (E_RNA) where: Base-Base interactions energy: -21.887 where: short stacking energy: -21.887 Base-Backbone interact. energy: -0.000 local terms energy: -37.199240 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -7.172 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: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -67.374712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.374712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.374712 (E_RNA) where: Base-Base interactions energy: -32.744 where: short stacking energy: -25.462 Base-Backbone interact. energy: -0.001 local terms energy: -34.630382 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -8.523 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: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -57.211306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.211306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.211306 (E_RNA) where: Base-Base interactions energy: -27.057 where: short stacking energy: -19.355 Base-Backbone interact. energy: -0.000 local terms energy: -30.154217 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -46.529707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.529707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.529707 (E_RNA) where: Base-Base interactions energy: -17.405 where: short stacking energy: -17.348 Base-Backbone interact. energy: -0.015 local terms energy: -29.109651 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -50.310451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.310451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.310451 (E_RNA) where: Base-Base interactions energy: -27.764 where: short stacking energy: -15.793 Base-Backbone interact. energy: -0.082 local terms energy: -22.463535 where: bonds (distance) C4'-P energy: -2.723 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -5.516 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: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -45.404484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.404484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.404484 (E_RNA) where: Base-Base interactions energy: -16.514 where: short stacking energy: -16.514 Base-Backbone interact. energy: -0.000 local terms energy: -28.890513 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -8.521 flat angles P-C4'-P energy: -2.922 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: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -52.248705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.248705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.248705 (E_RNA) where: Base-Base interactions energy: -18.841 where: short stacking energy: -18.841 Base-Backbone interact. energy: -0.000 local terms energy: -33.407875 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -44.771966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.771966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.771966 (E_RNA) where: Base-Base interactions energy: -13.807 where: short stacking energy: -11.957 Base-Backbone interact. energy: -0.000 local terms energy: -30.965314 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -5.875 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: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -62.841838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.841838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.841838 (E_RNA) where: Base-Base interactions energy: -27.346 where: short stacking energy: -27.346 Base-Backbone interact. energy: -0.000 local terms energy: -35.495879 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -4.644 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: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -60.340191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.340191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.340191 (E_RNA) where: Base-Base interactions energy: -29.539 where: short stacking energy: -21.903 Base-Backbone interact. energy: -0.519 local terms energy: -30.281742 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -1.299 tors. eta vs tors. theta energy: -5.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -62.141911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.141911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.141911 (E_RNA) where: Base-Base interactions energy: -32.313 where: short stacking energy: -19.435 Base-Backbone interact. energy: 0.355 local terms energy: -30.184153 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -56.381059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.381059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.381059 (E_RNA) where: Base-Base interactions energy: -22.141 where: short stacking energy: -16.145 Base-Backbone interact. energy: -0.000 local terms energy: -34.240035 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -56.672561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.672561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.672561 (E_RNA) where: Base-Base interactions energy: -33.013 where: short stacking energy: -16.799 Base-Backbone interact. energy: -0.034 local terms energy: -23.625572 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: 1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -46.956233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.956233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.956233 (E_RNA) where: Base-Base interactions energy: -20.121 where: short stacking energy: -20.121 Base-Backbone interact. energy: -0.001 local terms energy: -26.834905 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -58.525643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.525643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.525643 (E_RNA) where: Base-Base interactions energy: -30.803 where: short stacking energy: -16.809 Base-Backbone interact. energy: -0.091 local terms energy: -27.631568 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -44.103292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.103292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.103292 (E_RNA) where: Base-Base interactions energy: -14.509 where: short stacking energy: -14.454 Base-Backbone interact. energy: -0.076 local terms energy: -29.517817 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -6.097 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: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -39.972505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.972505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.972505 (E_RNA) where: Base-Base interactions energy: -14.221 where: short stacking energy: -14.221 Base-Backbone interact. energy: -0.030 local terms energy: -25.721065 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -5.943 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -39.000818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.000818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.000818 (E_RNA) where: Base-Base interactions energy: -12.738 where: short stacking energy: -11.136 Base-Backbone interact. energy: -0.220 local terms energy: -26.043015 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: 1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -65.131525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.131525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.131525 (E_RNA) where: Base-Base interactions energy: -28.627 where: short stacking energy: -28.627 Base-Backbone interact. energy: -0.001 local terms energy: -36.502563 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -3.821 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: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -65.652720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.652720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.652720 (E_RNA) where: Base-Base interactions energy: -34.941 where: short stacking energy: -11.195 Base-Backbone interact. energy: -0.109 local terms energy: -30.602110 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -59.458407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.458407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.458407 (E_RNA) where: Base-Base interactions energy: -28.242 where: short stacking energy: -17.732 Base-Backbone interact. energy: -0.007 local terms energy: -31.209323 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.614 flat angles P-C4'-P energy: -4.208 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: 4, replica: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -53.453724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.453724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.453724 (E_RNA) where: Base-Base interactions energy: -24.442 where: short stacking energy: -24.442 Base-Backbone interact. energy: -0.022 local terms energy: -28.989238 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -2.544 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -64.112858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.112858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.112858 (E_RNA) where: Base-Base interactions energy: -29.684 where: short stacking energy: -22.674 Base-Backbone interact. energy: -0.001 local terms energy: -34.427640 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -6.335 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: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -45.030205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.030205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.030205 (E_RNA) where: Base-Base interactions energy: -13.854 where: short stacking energy: -13.854 Base-Backbone interact. energy: -0.015 local terms energy: -31.161736 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -5.751 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: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -49.980756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.980756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.980756 (E_RNA) where: Base-Base interactions energy: -18.898 where: short stacking energy: -18.898 Base-Backbone interact. energy: -0.000 local terms energy: -31.082472 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -4.952 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: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -41.707554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.707554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.707554 (E_RNA) where: Base-Base interactions energy: -16.728 where: short stacking energy: -16.728 Base-Backbone interact. energy: -0.090 local terms energy: -24.889103 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -4.094 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: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -42.135712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.135712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.135712 (E_RNA) where: Base-Base interactions energy: -13.461 where: short stacking energy: -13.461 Base-Backbone interact. energy: -0.000 local terms energy: -28.674696 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -42.295992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.295992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.295992 (E_RNA) where: Base-Base interactions energy: -11.647 where: short stacking energy: -11.647 Base-Backbone interact. energy: -0.029 local terms energy: -30.619710 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -3.286 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: 246 Temperature: 0.900000 Total energy: -68.834644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.834644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.834644 (E_RNA) where: Base-Base interactions energy: -32.204 where: short stacking energy: -30.976 Base-Backbone interact. energy: -0.000 local terms energy: -36.630381 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -6.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -61.339463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.339463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.339463 (E_RNA) where: Base-Base interactions energy: -24.453 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.007 local terms energy: -36.879916 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -5.668 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: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -57.833656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.833656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.833656 (E_RNA) where: Base-Base interactions energy: -24.160 where: short stacking energy: -24.160 Base-Backbone interact. energy: -0.000 local terms energy: -33.673101 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -2.890 flat angles P-C4'-P energy: -7.126 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: 4, replica: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -66.006922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.006922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.006922 (E_RNA) where: Base-Base interactions energy: -30.248 where: short stacking energy: -20.285 Base-Backbone interact. energy: -0.505 local terms energy: -35.253976 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -5.602 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: 5, replica: 3 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -53.618422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.618422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.618422 (E_RNA) where: Base-Base interactions energy: -21.021 where: short stacking energy: -21.021 Base-Backbone interact. energy: -0.013 local terms energy: -32.583832 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -6.283 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: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -52.560083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.560083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.560083 (E_RNA) where: Base-Base interactions energy: -17.997 where: short stacking energy: -13.679 Base-Backbone interact. energy: -0.255 local terms energy: -34.308882 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -8.933 flat angles P-C4'-P energy: -6.915 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: 7, replica: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -44.101682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.101682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.101682 (E_RNA) where: Base-Base interactions energy: -14.557 where: short stacking energy: -14.557 Base-Backbone interact. energy: -0.005 local terms energy: -29.539195 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -4.084 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: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -44.380986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.380986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.380986 (E_RNA) where: Base-Base interactions energy: -14.705 where: short stacking energy: -14.705 Base-Backbone interact. energy: -0.004 local terms energy: -29.672402 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -46.213490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.213490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.213490 (E_RNA) where: Base-Base interactions energy: -19.315 where: short stacking energy: -19.098 Base-Backbone interact. energy: -0.003 local terms energy: -26.895904 where: bonds (distance) C4'-P energy: -5.455 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.012 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -6.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -52.391568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.391568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.391568 (E_RNA) where: Base-Base interactions energy: -18.837 where: short stacking energy: -18.163 Base-Backbone interact. energy: -0.000 local terms energy: -33.554771 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -9.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -57.574728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.574728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.574728 (E_RNA) where: Base-Base interactions energy: -27.665 where: short stacking energy: -20.981 Base-Backbone interact. energy: -0.000 local terms energy: -29.909451 where: bonds (distance) C4'-P energy: -7.451 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -1.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -57.615061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.615061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.615061 (E_RNA) where: Base-Base interactions energy: -25.114 where: short stacking energy: -25.114 Base-Backbone interact. energy: -0.000 local terms energy: -32.500599 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -67.212320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.212320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.212320 (E_RNA) where: Base-Base interactions energy: -29.940 where: short stacking energy: -29.940 Base-Backbone interact. energy: -0.000 local terms energy: -37.272129 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -9.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -53.959629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.959629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.959629 (E_RNA) where: Base-Base interactions energy: -21.797 where: short stacking energy: -18.501 Base-Backbone interact. energy: -0.002 local terms energy: -32.160710 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -60.763116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.763116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.763116 (E_RNA) where: Base-Base interactions energy: -28.873 where: short stacking energy: -28.873 Base-Backbone interact. energy: -0.009 local terms energy: -31.880873 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -2.227 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -10.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -47.725813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.725813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.725813 (E_RNA) where: Base-Base interactions energy: -18.135 where: short stacking energy: -18.135 Base-Backbone interact. energy: -0.059 local terms energy: -29.531801 where: bonds (distance) C4'-P energy: -2.686 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -6.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -47.543450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.543450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.543450 (E_RNA) where: Base-Base interactions energy: -16.802 where: short stacking energy: -14.445 Base-Backbone interact. energy: -0.060 local terms energy: -30.681324 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -48.445947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.445947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.445947 (E_RNA) where: Base-Base interactions energy: -15.874 where: short stacking energy: -15.874 Base-Backbone interact. energy: -0.010 local terms energy: -32.561925 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -4.252 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: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -39.151158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.151158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.151158 (E_RNA) where: Base-Base interactions energy: -13.921 where: short stacking energy: -13.586 Base-Backbone interact. energy: 1.247 local terms energy: -26.476518 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: 2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -43.763113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.763113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.763113 (E_RNA) where: Base-Base interactions energy: -15.320 where: short stacking energy: -15.320 Base-Backbone interact. energy: -0.000 local terms energy: -28.442527 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -5.379 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: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -61.782638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.782638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.782638 (E_RNA) where: Base-Base interactions energy: -28.123 where: short stacking energy: -20.652 Base-Backbone interact. energy: -0.000 local terms energy: -33.659615 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -4.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -57.432310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.432310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.432310 (E_RNA) where: Base-Base interactions energy: -21.375 where: short stacking energy: -20.239 Base-Backbone interact. energy: -0.014 local terms energy: -36.043236 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -64.728128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.728128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.728128 (E_RNA) where: Base-Base interactions energy: -27.919 where: short stacking energy: -27.919 Base-Backbone interact. energy: -0.061 local terms energy: -36.748732 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -4.807 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: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -53.606304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.606304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.606304 (E_RNA) where: Base-Base interactions energy: -32.383 where: short stacking energy: -15.114 Base-Backbone interact. energy: -0.013 local terms energy: -21.210375 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -0.054 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: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -45.567230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.567230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.567230 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -15.130 Base-Backbone interact. energy: -0.006 local terms energy: -30.291956 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -6.059 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: 8 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -56.846508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.846508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.846508 (E_RNA) where: Base-Base interactions energy: -22.023 where: short stacking energy: -21.735 Base-Backbone interact. energy: -0.007 local terms energy: -34.816359 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -6.917 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -46.270323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.270323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.270323 (E_RNA) where: Base-Base interactions energy: -16.828 where: short stacking energy: -16.828 Base-Backbone interact. energy: -0.008 local terms energy: -29.434098 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -1.504 tors. eta vs tors. theta energy: -5.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -55.159105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.159105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.159105 (E_RNA) where: Base-Base interactions energy: -27.622 where: short stacking energy: -20.342 Base-Backbone interact. energy: -0.007 local terms energy: -27.529971 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -2.646 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: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -45.262247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.262247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.262247 (E_RNA) where: Base-Base interactions energy: -18.640 where: short stacking energy: -18.640 Base-Backbone interact. energy: -0.103 local terms energy: -26.519054 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -4.278 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: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -48.846039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.846039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.846039 (E_RNA) where: Base-Base interactions energy: -16.440 where: short stacking energy: -16.440 Base-Backbone interact. energy: -0.096 local terms energy: -32.310663 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -3.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -85.079481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.079481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.079481 (E_RNA) where: Base-Base interactions energy: -49.043 where: short stacking energy: -31.835 Base-Backbone interact. energy: -0.003 local terms energy: -36.033932 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -6.149 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: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -57.114890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.114890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.114890 (E_RNA) where: Base-Base interactions energy: -21.913 where: short stacking energy: -21.913 Base-Backbone interact. energy: -0.081 local terms energy: -35.121350 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -2.429 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: 3, replica: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -60.093620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.093620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.093620 (E_RNA) where: Base-Base interactions energy: -26.021 where: short stacking energy: -21.159 Base-Backbone interact. energy: -0.003 local terms energy: -34.069621 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -5.676 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: 4, replica: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -63.166161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.166161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.166161 (E_RNA) where: Base-Base interactions energy: -33.614 where: short stacking energy: -23.255 Base-Backbone interact. energy: -0.000 local terms energy: -29.551710 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -1.621 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: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -56.607295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.607295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.607295 (E_RNA) where: Base-Base interactions energy: -23.493 where: short stacking energy: -23.493 Base-Backbone interact. energy: -0.001 local terms energy: -33.113198 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -51.280557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.280557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.280557 (E_RNA) where: Base-Base interactions energy: -25.140 where: short stacking energy: -24.261 Base-Backbone interact. energy: -0.062 local terms energy: -26.079159 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -47.178926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.178926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.178926 (E_RNA) where: Base-Base interactions energy: -21.366 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.011 local terms energy: -25.802449 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: 1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -45.641821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.641821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.641821 (E_RNA) where: Base-Base interactions energy: -20.639 where: short stacking energy: -20.639 Base-Backbone interact. energy: -0.001 local terms energy: -25.001697 where: bonds (distance) C4'-P energy: -2.545 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -42.885644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.885644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.885644 (E_RNA) where: Base-Base interactions energy: -13.879 where: short stacking energy: -12.009 Base-Backbone interact. energy: -0.063 local terms energy: -28.944193 where: bonds (distance) C4'-P energy: -7.236 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -50.578804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.578804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.578804 (E_RNA) where: Base-Base interactions energy: -20.145 where: short stacking energy: -20.145 Base-Backbone interact. energy: 0.134 local terms energy: -30.568344 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -7.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -80.071384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.071384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.071384 (E_RNA) where: Base-Base interactions energy: -43.720 where: short stacking energy: -25.200 Base-Backbone interact. energy: -0.012 local terms energy: -36.339928 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -6.949 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: 1 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -64.544175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.544175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.544175 (E_RNA) where: Base-Base interactions energy: -37.223 where: short stacking energy: -21.543 Base-Backbone interact. energy: -0.027 local terms energy: -27.294222 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -6.628 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: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -60.308710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.308710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.308710 (E_RNA) where: Base-Base interactions energy: -26.075 where: short stacking energy: -26.075 Base-Backbone interact. energy: -0.001 local terms energy: -34.232517 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -3.572 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: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -55.551616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.551616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.551616 (E_RNA) where: Base-Base interactions energy: -22.539 where: short stacking energy: -22.539 Base-Backbone interact. energy: -0.008 local terms energy: -33.004402 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -6.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -62.008585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.008585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.008585 (E_RNA) where: Base-Base interactions energy: -31.055 where: short stacking energy: -16.303 Base-Backbone interact. energy: -0.102 local terms energy: -30.851856 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -51.762277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.762277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.762277 (E_RNA) where: Base-Base interactions energy: -20.039 where: short stacking energy: -20.039 Base-Backbone interact. energy: -0.000 local terms energy: -31.723280 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -4.182 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: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -48.474917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.474917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.474917 (E_RNA) where: Base-Base interactions energy: -15.755 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.000 local terms energy: -32.719784 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -5.504 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: 8, replica: 8 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -57.243125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.243125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.243125 (E_RNA) where: Base-Base interactions energy: -28.060 where: short stacking energy: -20.738 Base-Backbone interact. energy: -0.001 local terms energy: -29.182120 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -41.044416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.044416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.044416 (E_RNA) where: Base-Base interactions energy: -19.002 where: short stacking energy: -14.055 Base-Backbone interact. energy: 0.130 local terms energy: -22.172228 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -0.314 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -41.499399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.499399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.499399 (E_RNA) where: Base-Base interactions energy: -16.010 where: short stacking energy: -16.010 Base-Backbone interact. energy: -0.079 local terms energy: -25.409864 where: bonds (distance) C4'-P energy: -3.697 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -3.928 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: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -81.263044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.263044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.263044 (E_RNA) where: Base-Base interactions energy: -45.027 where: short stacking energy: -27.201 Base-Backbone interact. energy: -0.402 local terms energy: -35.834248 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -5.836 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: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -64.250010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.250010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.250010 (E_RNA) where: Base-Base interactions energy: -31.512 where: short stacking energy: -31.512 Base-Backbone interact. energy: -0.000 local terms energy: -32.738009 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -6.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -57.166401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.166401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.166401 (E_RNA) where: Base-Base interactions energy: -23.707 where: short stacking energy: -23.707 Base-Backbone interact. energy: -0.000 local terms energy: -33.459162 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -3.673 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: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -64.091491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.091491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.091491 (E_RNA) where: Base-Base interactions energy: -25.077 where: short stacking energy: -25.077 Base-Backbone interact. energy: -0.000 local terms energy: -39.014299 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -9.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -51.981051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.981051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.981051 (E_RNA) where: Base-Base interactions energy: -19.030 where: short stacking energy: -19.030 Base-Backbone interact. energy: -0.003 local terms energy: -32.947319 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -5.783 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: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -55.182611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.182611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.182611 (E_RNA) where: Base-Base interactions energy: -26.079 where: short stacking energy: -18.327 Base-Backbone interact. energy: -0.101 local terms energy: -29.002595 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -45.660548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.660548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.660548 (E_RNA) where: Base-Base interactions energy: -14.921 where: short stacking energy: -14.921 Base-Backbone interact. energy: -0.061 local terms energy: -30.677921 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -47.418050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.418050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.418050 (E_RNA) where: Base-Base interactions energy: -15.793 where: short stacking energy: -15.793 Base-Backbone interact. energy: -0.151 local terms energy: -31.473453 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -4.024 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: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -41.904609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.904609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.904609 (E_RNA) where: Base-Base interactions energy: -16.110 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.002 local terms energy: -25.792597 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -0.173 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: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -45.780198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.780198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.780198 (E_RNA) where: Base-Base interactions energy: -16.549 where: short stacking energy: -16.027 Base-Backbone interact. energy: -0.001 local terms energy: -29.230686 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.173 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: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -78.368554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.368554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.368554 (E_RNA) where: Base-Base interactions energy: -47.112 where: short stacking energy: -20.609 Base-Backbone interact. energy: -0.108 local terms energy: -31.148074 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -2.323 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -82.351372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.351372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.351372 (E_RNA) where: Base-Base interactions energy: -40.666 where: short stacking energy: -30.910 Base-Backbone interact. energy: -0.841 local terms energy: -40.843478 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: -9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -60.267792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.267792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.267792 (E_RNA) where: Base-Base interactions energy: -26.288 where: short stacking energy: -26.288 Base-Backbone interact. energy: 0.039 local terms energy: -34.019532 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -53.103711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.103711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.103711 (E_RNA) where: Base-Base interactions energy: -21.602 where: short stacking energy: -21.602 Base-Backbone interact. energy: -0.181 local terms energy: -31.319922 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -5.660 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -59.217621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.217621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.217621 (E_RNA) where: Base-Base interactions energy: -26.630 where: short stacking energy: -20.035 Base-Backbone interact. energy: -0.001 local terms energy: -32.586880 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -48.304665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.304665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.304665 (E_RNA) where: Base-Base interactions energy: -15.929 where: short stacking energy: -15.929 Base-Backbone interact. energy: -0.001 local terms energy: -32.374856 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -3.734 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: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -50.701257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.701257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.701257 (E_RNA) where: Base-Base interactions energy: -25.818 where: short stacking energy: -17.233 Base-Backbone interact. energy: -0.030 local terms energy: -24.853225 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -5.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -60.006527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.006527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.006527 (E_RNA) where: Base-Base interactions energy: -32.228 where: short stacking energy: -13.784 Base-Backbone interact. energy: -0.004 local terms energy: -27.774134 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -1.791 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -48.194479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.194479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.194479 (E_RNA) where: Base-Base interactions energy: -17.291 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.007 local terms energy: -30.897318 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -41.447727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.447727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.447727 (E_RNA) where: Base-Base interactions energy: -12.979 where: short stacking energy: -12.979 Base-Backbone interact. energy: 0.227 local terms energy: -28.695316 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -82.619829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.619829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.619829 (E_RNA) where: Base-Base interactions energy: -45.915 where: short stacking energy: -30.619 Base-Backbone interact. energy: -0.000 local terms energy: -36.704339 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -7.283 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: 253 Temperature: 0.950000 Total energy: -72.096223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.096223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.096223 (E_RNA) where: Base-Base interactions energy: -34.013 where: short stacking energy: -34.013 Base-Backbone interact. energy: -0.000 local terms energy: -38.082696 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -10.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -82.746423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.746423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.746423 (E_RNA) where: Base-Base interactions energy: -47.607 where: short stacking energy: -31.671 Base-Backbone interact. energy: -0.013 local terms energy: -35.125864 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -6.107 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: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -61.067849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.067849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.067849 (E_RNA) where: Base-Base interactions energy: -25.651 where: short stacking energy: -25.651 Base-Backbone interact. energy: -0.000 local terms energy: -35.416907 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.893 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -65.445870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.445870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.445870 (E_RNA) where: Base-Base interactions energy: -31.326 where: short stacking energy: -31.326 Base-Backbone interact. energy: -0.000 local terms energy: -34.119767 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -4.504 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: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -52.179954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.179954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.179954 (E_RNA) where: Base-Base interactions energy: -18.907 where: short stacking energy: -18.907 Base-Backbone interact. energy: -0.000 local terms energy: -33.272695 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -46.020400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.020400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.020400 (E_RNA) where: Base-Base interactions energy: -16.598 where: short stacking energy: -16.598 Base-Backbone interact. energy: -0.001 local terms energy: -29.421417 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -5.954 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -45.636271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.636271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.636271 (E_RNA) where: Base-Base interactions energy: -16.212 where: short stacking energy: -16.212 Base-Backbone interact. energy: -0.046 local terms energy: -29.377473 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -4.454 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: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -44.902928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.902928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.902928 (E_RNA) where: Base-Base interactions energy: -17.045 where: short stacking energy: -14.133 Base-Backbone interact. energy: -0.008 local terms energy: -27.849198 where: bonds (distance) C4'-P energy: -5.146 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -9.037 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -44.476556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.476556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.476556 (E_RNA) where: Base-Base interactions energy: -15.028 where: short stacking energy: -15.028 Base-Backbone interact. energy: -0.000 local terms energy: -29.448163 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -1.649 tors. eta vs tors. theta energy: -5.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -65.198617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.198617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.198617 (E_RNA) where: Base-Base interactions energy: -28.673 where: short stacking energy: -27.841 Base-Backbone interact. energy: -0.001 local terms energy: -36.524847 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -6.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -69.685333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.685333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.685333 (E_RNA) where: Base-Base interactions energy: -39.596 where: short stacking energy: -20.695 Base-Backbone interact. energy: -0.001 local terms energy: -30.088576 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.484 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: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -64.783951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.783951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.783951 (E_RNA) where: Base-Base interactions energy: -34.269 where: short stacking energy: -25.077 Base-Backbone interact. energy: -0.020 local terms energy: -30.494510 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -6.221 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: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -48.738038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.738038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.738038 (E_RNA) where: Base-Base interactions energy: -23.223 where: short stacking energy: -23.223 Base-Backbone interact. energy: -0.151 local terms energy: -25.364435 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -5.790 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: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -45.259936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.259936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.259936 (E_RNA) where: Base-Base interactions energy: -15.033 where: short stacking energy: -15.033 Base-Backbone interact. energy: -0.090 local terms energy: -30.137607 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -42.595404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.595404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.595404 (E_RNA) where: Base-Base interactions energy: -16.528 where: short stacking energy: -12.365 Base-Backbone interact. energy: -0.090 local terms energy: -25.977857 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.109 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: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -48.585860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.585860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.585860 (E_RNA) where: Base-Base interactions energy: -18.393 where: short stacking energy: -18.393 Base-Backbone interact. energy: -0.027 local terms energy: -30.166274 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -3.726 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: 8, replica: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -48.288283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.288283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.288283 (E_RNA) where: Base-Base interactions energy: -19.658 where: short stacking energy: -14.007 Base-Backbone interact. energy: -0.570 local terms energy: -28.059534 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -2.297 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -43.475202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.475202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.475202 (E_RNA) where: Base-Base interactions energy: -16.228 where: short stacking energy: -16.228 Base-Backbone interact. energy: -0.000 local terms energy: -27.247256 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -1.726 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -44.411749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.411749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.411749 (E_RNA) where: Base-Base interactions energy: -17.971 where: short stacking energy: -15.287 Base-Backbone interact. energy: -0.040 local terms energy: -26.399990 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -5.571 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -60.183100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.183100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.183100 (E_RNA) where: Base-Base interactions energy: -23.818 where: short stacking energy: -22.074 Base-Backbone interact. energy: -0.030 local terms energy: -36.335253 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -5.438 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: 2, replica: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -61.011448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.011448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.011448 (E_RNA) where: Base-Base interactions energy: -26.719 where: short stacking energy: -20.057 Base-Backbone interact. energy: -0.095 local terms energy: -34.197405 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -64.109638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.109638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.109638 (E_RNA) where: Base-Base interactions energy: -31.774 where: short stacking energy: -16.907 Base-Backbone interact. energy: -1.573 local terms energy: -30.762680 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -5.672 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -49.139244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.139244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.139244 (E_RNA) where: Base-Base interactions energy: -20.025 where: short stacking energy: -20.025 Base-Backbone interact. energy: -0.023 local terms energy: -29.091475 where: bonds (distance) C4'-P energy: -8.531 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -1.969 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -56.306764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.306764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.306764 (E_RNA) where: Base-Base interactions energy: -22.839 where: short stacking energy: -22.839 Base-Backbone interact. energy: -0.044 local terms energy: -33.423280 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -5.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -47.482344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.482344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.482344 (E_RNA) where: Base-Base interactions energy: -16.186 where: short stacking energy: -16.186 Base-Backbone interact. energy: -0.000 local terms energy: -31.296204 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -52.267267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.267267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.267267 (E_RNA) where: Base-Base interactions energy: -19.726 where: short stacking energy: -19.916 Base-Backbone interact. energy: -0.070 local terms energy: -32.470513 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -48.189711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.189711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.189711 (E_RNA) where: Base-Base interactions energy: -16.729 where: short stacking energy: -16.729 Base-Backbone interact. energy: -0.073 local terms energy: -31.388047 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -2.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -42.023046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.023046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.023046 (E_RNA) where: Base-Base interactions energy: -12.478 where: short stacking energy: -12.478 Base-Backbone interact. energy: -0.001 local terms energy: -29.543655 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -3.105 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: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -37.810187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.810187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.810187 (E_RNA) where: Base-Base interactions energy: -8.008 where: short stacking energy: -7.007 Base-Backbone interact. energy: -0.032 local terms energy: -29.770149 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -3.624 flat angles P-C4'-P energy: -7.613 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -74.322096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.322096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.322096 (E_RNA) where: Base-Base interactions energy: -39.433 where: short stacking energy: -34.039 Base-Backbone interact. energy: -0.001 local terms energy: -34.888765 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -8.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -63.507454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.507454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.507454 (E_RNA) where: Base-Base interactions energy: -24.514 where: short stacking energy: -24.514 Base-Backbone interact. energy: -0.000 local terms energy: -38.993350 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -6.411 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: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -63.914278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.914278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.914278 (E_RNA) where: Base-Base interactions energy: -32.013 where: short stacking energy: -25.647 Base-Backbone interact. energy: -0.000 local terms energy: -31.900729 where: bonds (distance) C4'-P energy: -5.322 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -5.464 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: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -55.393427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.393427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.393427 (E_RNA) where: Base-Base interactions energy: -24.613 where: short stacking energy: -24.613 Base-Backbone interact. energy: -0.003 local terms energy: -30.777055 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -3.256 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: 5, replica: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -55.632815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.632815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.632815 (E_RNA) where: Base-Base interactions energy: -22.709 where: short stacking energy: -22.709 Base-Backbone interact. energy: -0.009 local terms energy: -32.914088 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -51.858007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.858007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.858007 (E_RNA) where: Base-Base interactions energy: -19.337 where: short stacking energy: -19.337 Base-Backbone interact. energy: -0.081 local terms energy: -32.439349 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.039 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: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -48.103918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.103918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.103918 (E_RNA) where: Base-Base interactions energy: -20.061 where: short stacking energy: -14.911 Base-Backbone interact. energy: -0.100 local terms energy: -27.943115 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -43.831100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.831100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.831100 (E_RNA) where: Base-Base interactions energy: -17.173 where: short stacking energy: -14.687 Base-Backbone interact. energy: -0.000 local terms energy: -26.657476 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -48.872853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.872853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.872853 (E_RNA) where: Base-Base interactions energy: -20.071 where: short stacking energy: -20.071 Base-Backbone interact. energy: -0.000 local terms energy: -28.801540 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -1.546 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -47.801932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.801932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.801932 (E_RNA) where: Base-Base interactions energy: -16.396 where: short stacking energy: -16.392 Base-Backbone interact. energy: -0.000 local terms energy: -31.405803 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -4.264 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: 1, replica: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -66.692513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.692513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.692513 (E_RNA) where: Base-Base interactions energy: -28.045 where: short stacking energy: -24.882 Base-Backbone interact. energy: -0.000 local terms energy: -38.647826 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -10.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -73.106874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.106874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.106874 (E_RNA) where: Base-Base interactions energy: -39.334 where: short stacking energy: -21.386 Base-Backbone interact. energy: -0.523 local terms energy: -33.249892 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.033 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -5.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -53.927825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.927825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.927825 (E_RNA) where: Base-Base interactions energy: -20.660 where: short stacking energy: -20.660 Base-Backbone interact. energy: -0.000 local terms energy: -33.267527 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -51.566966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.566966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.566966 (E_RNA) where: Base-Base interactions energy: -22.904 where: short stacking energy: -18.179 Base-Backbone interact. energy: -0.034 local terms energy: -28.629624 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -5.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -55.679128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.679128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.679128 (E_RNA) where: Base-Base interactions energy: -28.084 where: short stacking energy: -15.959 Base-Backbone interact. energy: -0.080 local terms energy: -27.515485 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -5.911 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: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -52.443923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.443923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.443923 (E_RNA) where: Base-Base interactions energy: -26.284 where: short stacking energy: -19.090 Base-Backbone interact. energy: -0.041 local terms energy: -26.118882 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -3.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -45.962622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.962622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.962622 (E_RNA) where: Base-Base interactions energy: -19.564 where: short stacking energy: -14.560 Base-Backbone interact. energy: -0.002 local terms energy: -26.396998 where: bonds (distance) C4'-P energy: -3.817 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -4.928 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: 8, replica: 7 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -46.715530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.715530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.715530 (E_RNA) where: Base-Base interactions energy: -25.299 where: short stacking energy: -20.694 Base-Backbone interact. energy: -0.000 local terms energy: -21.416192 where: bonds (distance) C4'-P energy: -5.116 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -3.510 flat angles P-C4'-P energy: -5.934 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: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -42.214072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.214072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.214072 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.036 local terms energy: -28.481607 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -44.154887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.154887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.154887 (E_RNA) where: Base-Base interactions energy: -17.471 where: short stacking energy: -17.471 Base-Backbone interact. energy: -0.148 local terms energy: -26.536071 where: bonds (distance) C4'-P energy: -5.746 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -0.940 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: 1, replica: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -74.549890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.549890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.549890 (E_RNA) where: Base-Base interactions energy: -35.664 where: short stacking energy: -31.271 Base-Backbone interact. energy: -0.000 local terms energy: -38.885728 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -8.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -56.949536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.949536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.949536 (E_RNA) where: Base-Base interactions energy: -24.552 where: short stacking energy: -24.552 Base-Backbone interact. energy: -0.000 local terms energy: -32.397481 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.923 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -6.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -51.529612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.529612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.529612 (E_RNA) where: Base-Base interactions energy: -23.407 where: short stacking energy: -16.137 Base-Backbone interact. energy: -0.100 local terms energy: -28.022151 where: bonds (distance) C4'-P energy: -5.523 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -6.556 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: 4, replica: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -51.780228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.780228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.780228 (E_RNA) where: Base-Base interactions energy: -16.740 where: short stacking energy: -16.740 Base-Backbone interact. energy: -0.002 local terms energy: -35.037556 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -59.431887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.431887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.431887 (E_RNA) where: Base-Base interactions energy: -26.129 where: short stacking energy: -14.537 Base-Backbone interact. energy: -0.109 local terms energy: -33.193376 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -1.772 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: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -53.514802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.514802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.514802 (E_RNA) where: Base-Base interactions energy: -23.611 where: short stacking energy: -23.611 Base-Backbone interact. energy: -0.032 local terms energy: -29.871478 where: bonds (distance) C4'-P energy: -1.887 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -5.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -48.057456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.057456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.057456 (E_RNA) where: Base-Base interactions energy: -15.811 where: short stacking energy: -15.811 Base-Backbone interact. energy: -0.076 local terms energy: -32.170395 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -6.740 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: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -57.066571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.066571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.066571 (E_RNA) where: Base-Base interactions energy: -23.679 where: short stacking energy: -23.679 Base-Backbone interact. energy: -0.001 local terms energy: -33.386627 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -5.618 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: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -42.724966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.724966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.724966 (E_RNA) where: Base-Base interactions energy: -11.335 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.001 local terms energy: -31.389394 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -3.458 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: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -34.598762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.598762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.598762 (E_RNA) where: Base-Base interactions energy: -15.648 where: short stacking energy: -14.070 Base-Backbone interact. energy: 0.202 local terms energy: -19.152388 where: bonds (distance) C4'-P energy: 1.425 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: 0.575 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: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -71.184787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.184787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.184787 (E_RNA) where: Base-Base interactions energy: -31.731 where: short stacking energy: -31.731 Base-Backbone interact. energy: -0.001 local terms energy: -39.452779 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -8.093 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -7.375 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: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -61.575981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.575981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.575981 (E_RNA) where: Base-Base interactions energy: -31.520 where: short stacking energy: -19.103 Base-Backbone interact. energy: -0.053 local terms energy: -30.002953 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.563 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -63.373748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.373748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.373748 (E_RNA) where: Base-Base interactions energy: -28.821 where: short stacking energy: -22.816 Base-Backbone interact. energy: -0.003 local terms energy: -34.549181 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -6.569 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: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -51.075291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.075291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.075291 (E_RNA) where: Base-Base interactions energy: -17.235 where: short stacking energy: -16.658 Base-Backbone interact. energy: -1.023 local terms energy: -32.817415 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -5.743 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: 10 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -54.712903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.712903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.712903 (E_RNA) where: Base-Base interactions energy: -26.585 where: short stacking energy: -22.912 Base-Backbone interact. energy: -0.080 local terms energy: -28.047785 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -4.015 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: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -48.832899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.832899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.832899 (E_RNA) where: Base-Base interactions energy: -19.186 where: short stacking energy: -16.700 Base-Backbone interact. energy: -0.006 local terms energy: -29.641091 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -50.748320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.748320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.748320 (E_RNA) where: Base-Base interactions energy: -15.854 where: short stacking energy: -15.854 Base-Backbone interact. energy: -0.045 local terms energy: -34.849441 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -49.945837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.945837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.945837 (E_RNA) where: Base-Base interactions energy: -19.770 where: short stacking energy: -14.578 Base-Backbone interact. energy: -0.000 local terms energy: -30.175519 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.871 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -45.730588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.730588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.730588 (E_RNA) where: Base-Base interactions energy: -17.080 where: short stacking energy: -17.080 Base-Backbone interact. energy: 0.311 local terms energy: -28.961839 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -3.913 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: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -45.524074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.524074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.524074 (E_RNA) where: Base-Base interactions energy: -20.199 where: short stacking energy: -20.199 Base-Backbone interact. energy: -0.027 local terms energy: -25.297665 where: bonds (distance) C4'-P energy: -3.850 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -78.119043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.119043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.119043 (E_RNA) where: Base-Base interactions energy: -41.085 where: short stacking energy: -22.188 Base-Backbone interact. energy: -0.006 local terms energy: -37.028457 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: -6.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -65.036381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.036381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.036381 (E_RNA) where: Base-Base interactions energy: -30.918 where: short stacking energy: -22.007 Base-Backbone interact. energy: -0.003 local terms energy: -34.115542 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -3.408 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: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -49.191837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.191837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.191837 (E_RNA) where: Base-Base interactions energy: -18.342 where: short stacking energy: -11.451 Base-Backbone interact. energy: -0.171 local terms energy: -30.678839 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.589 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -5.594 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: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -63.551992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.551992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.551992 (E_RNA) where: Base-Base interactions energy: -37.908 where: short stacking energy: -24.044 Base-Backbone interact. energy: -0.008 local terms energy: -25.636136 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -3.713 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: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -50.355169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.355169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.355169 (E_RNA) where: Base-Base interactions energy: -20.923 where: short stacking energy: -20.050 Base-Backbone interact. energy: -0.000 local terms energy: -29.432080 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -8.232 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: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -49.637698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.637698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.637698 (E_RNA) where: Base-Base interactions energy: -21.596 where: short stacking energy: -15.690 Base-Backbone interact. energy: -0.029 local terms energy: -28.012976 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -6.828 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: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -49.573383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.573383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.573383 (E_RNA) where: Base-Base interactions energy: -20.047 where: short stacking energy: -7.141 Base-Backbone interact. energy: -0.423 local terms energy: -29.103424 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -44.092629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.092629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.092629 (E_RNA) where: Base-Base interactions energy: -16.187 where: short stacking energy: -16.187 Base-Backbone interact. energy: -0.029 local terms energy: -27.876109 where: bonds (distance) C4'-P energy: -7.745 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -5.568 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: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -40.927877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.927877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.927877 (E_RNA) where: Base-Base interactions energy: -12.888 where: short stacking energy: -11.057 Base-Backbone interact. energy: -0.034 local terms energy: -28.005952 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -4.416 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: 10, replica: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -39.534881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.534881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.534881 (E_RNA) where: Base-Base interactions energy: -11.454 where: short stacking energy: -8.703 Base-Backbone interact. energy: -0.284 local terms energy: -27.796225 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -3.583 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: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -74.287626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.287626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.287626 (E_RNA) where: Base-Base interactions energy: -41.944 where: short stacking energy: -26.541 Base-Backbone interact. energy: -0.375 local terms energy: -31.969246 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.206 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: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -62.481857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.481857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.481857 (E_RNA) where: Base-Base interactions energy: -24.342 where: short stacking energy: -24.342 Base-Backbone interact. energy: -0.001 local terms energy: -38.138460 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -6.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -58.306820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.306820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.306820 (E_RNA) where: Base-Base interactions energy: -22.740 where: short stacking energy: -22.740 Base-Backbone interact. energy: -0.000 local terms energy: -35.567008 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -6.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -68.498354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.498354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.498354 (E_RNA) where: Base-Base interactions energy: -32.792 where: short stacking energy: -16.460 Base-Backbone interact. energy: -1.387 local terms energy: -34.319473 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -4.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -56.476389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.476389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.476389 (E_RNA) where: Base-Base interactions energy: -27.556 where: short stacking energy: -20.624 Base-Backbone interact. energy: -0.008 local terms energy: -28.912366 where: bonds (distance) C4'-P energy: -2.571 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.381 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -51.913333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.913333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.913333 (E_RNA) where: Base-Base interactions energy: -24.469 where: short stacking energy: -18.419 Base-Backbone interact. energy: -1.120 local terms energy: -26.324063 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -59.900366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.900366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.900366 (E_RNA) where: Base-Base interactions energy: -32.583 where: short stacking energy: -8.156 Base-Backbone interact. energy: -0.222 local terms energy: -27.095716 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -4.578 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: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -43.526913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.526913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.526913 (E_RNA) where: Base-Base interactions energy: -15.299 where: short stacking energy: -12.822 Base-Backbone interact. energy: -0.169 local terms energy: -28.058136 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -1.506 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: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -47.840125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.840125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.840125 (E_RNA) where: Base-Base interactions energy: -16.268 where: short stacking energy: -16.186 Base-Backbone interact. energy: -0.084 local terms energy: -31.487496 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -38.664456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.664456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.664456 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.233 local terms energy: -24.904652 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -3.266 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: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -63.544878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.544878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.544878 (E_RNA) where: Base-Base interactions energy: -28.194 where: short stacking energy: -28.194 Base-Backbone interact. energy: -0.000 local terms energy: -35.350894 where: bonds (distance) C4'-P energy: -5.672 bonds (distance) P-C4' energy: -6.957 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -6.031 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: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -67.691203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.691203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.691203 (E_RNA) where: Base-Base interactions energy: -37.286 where: short stacking energy: -24.164 Base-Backbone interact. energy: -0.394 local terms energy: -30.011635 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -3.312 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: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -62.917960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.917960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.917960 (E_RNA) where: Base-Base interactions energy: -28.674 where: short stacking energy: -25.861 Base-Backbone interact. energy: -0.001 local terms energy: -34.242886 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -7.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -72.560351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.560351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.560351 (E_RNA) where: Base-Base interactions energy: -36.428 where: short stacking energy: -25.322 Base-Backbone interact. energy: -0.043 local terms energy: -36.089447 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -7.699 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: 5, replica: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -59.058257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.058257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.058257 (E_RNA) where: Base-Base interactions energy: -30.628 where: short stacking energy: -18.702 Base-Backbone interact. energy: -0.128 local terms energy: -28.301764 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -4.538 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: 6, replica: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -58.635694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.635694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.635694 (E_RNA) where: Base-Base interactions energy: -23.275 where: short stacking energy: -23.275 Base-Backbone interact. energy: -0.000 local terms energy: -35.361045 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -7.451 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: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -45.142414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.142414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.142414 (E_RNA) where: Base-Base interactions energy: -18.071 where: short stacking energy: -18.071 Base-Backbone interact. energy: -0.009 local terms energy: -27.063131 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -53.496347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.496347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.496347 (E_RNA) where: Base-Base interactions energy: -23.310 where: short stacking energy: -22.570 Base-Backbone interact. energy: -0.077 local terms energy: -30.109017 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -40.585814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.585814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.585814 (E_RNA) where: Base-Base interactions energy: -19.611 where: short stacking energy: -19.611 Base-Backbone interact. energy: -0.003 local terms energy: -20.971348 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -2.936 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -47.663127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.663127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.663127 (E_RNA) where: Base-Base interactions energy: -20.087 where: short stacking energy: -9.129 Base-Backbone interact. energy: -0.098 local terms energy: -27.478578 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: 1.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -73.343482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.343482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.343482 (E_RNA) where: Base-Base interactions energy: -36.058 where: short stacking energy: -19.735 Base-Backbone interact. energy: -0.645 local terms energy: -36.641226 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -76.307522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.307522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.307522 (E_RNA) where: Base-Base interactions energy: -41.579 where: short stacking energy: -28.951 Base-Backbone interact. energy: 0.842 local terms energy: -35.570988 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: -5.162 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: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -64.887444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.887444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.887444 (E_RNA) where: Base-Base interactions energy: -30.649 where: short stacking energy: -24.451 Base-Backbone interact. energy: -0.079 local terms energy: -34.159717 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -4.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -67.156095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.156095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.156095 (E_RNA) where: Base-Base interactions energy: -33.395 where: short stacking energy: -19.618 Base-Backbone interact. energy: -0.436 local terms energy: -33.324480 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -6.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -55.134707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.134707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.134707 (E_RNA) where: Base-Base interactions energy: -21.218 where: short stacking energy: -21.218 Base-Backbone interact. energy: -0.000 local terms energy: -33.916161 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -4.242 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: 6, replica: 5 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -48.268482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.268482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.268482 (E_RNA) where: Base-Base interactions energy: -21.011 where: short stacking energy: -21.011 Base-Backbone interact. energy: -0.052 local terms energy: -27.205758 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -51.377354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.377354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.377354 (E_RNA) where: Base-Base interactions energy: -22.801 where: short stacking energy: -17.476 Base-Backbone interact. energy: -0.012 local terms energy: -28.564209 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -6.077 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: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -43.055949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.055949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.055949 (E_RNA) where: Base-Base interactions energy: -14.062 where: short stacking energy: -13.209 Base-Backbone interact. energy: -0.013 local terms energy: -28.981018 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -5.697 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: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -44.040775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.040775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.040775 (E_RNA) where: Base-Base interactions energy: -15.612 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.162 local terms energy: -28.266370 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -38.324551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.324551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.324551 (E_RNA) where: Base-Base interactions energy: -10.186 where: short stacking energy: -10.186 Base-Backbone interact. energy: -0.095 local terms energy: -28.044125 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -70.990029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.990029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.990029 (E_RNA) where: Base-Base interactions energy: -42.249 where: short stacking energy: -22.593 Base-Backbone interact. energy: -0.036 local terms energy: -28.705889 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -0.289 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: 2, replica: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -57.601009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.601009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.601009 (E_RNA) where: Base-Base interactions energy: -23.252 where: short stacking energy: -23.252 Base-Backbone interact. energy: -0.006 local terms energy: -34.343268 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -68.340286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.340286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.340286 (E_RNA) where: Base-Base interactions energy: -31.893 where: short stacking energy: -31.723 Base-Backbone interact. energy: -0.001 local terms energy: -36.446979 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -9.288 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -57.832510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.832510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.832510 (E_RNA) where: Base-Base interactions energy: -23.438 where: short stacking energy: -23.438 Base-Backbone interact. energy: -0.000 local terms energy: -34.394212 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -8.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -55.148730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.148730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.148730 (E_RNA) where: Base-Base interactions energy: -24.448 where: short stacking energy: -20.764 Base-Backbone interact. energy: -0.006 local terms energy: -30.693835 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -7.018 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -50.351871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.351871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.351871 (E_RNA) where: Base-Base interactions energy: -19.619 where: short stacking energy: -19.619 Base-Backbone interact. energy: -0.011 local terms energy: -30.721290 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -46.461585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.461585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.461585 (E_RNA) where: Base-Base interactions energy: -16.217 where: short stacking energy: -14.005 Base-Backbone interact. energy: -0.127 local terms energy: -30.117501 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -48.266166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.266166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.266166 (E_RNA) where: Base-Base interactions energy: -18.451 where: short stacking energy: -9.961 Base-Backbone interact. energy: 0.327 local terms energy: -30.142290 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -43.741055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.741055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.741055 (E_RNA) where: Base-Base interactions energy: -15.140 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.000 local terms energy: -28.600782 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -36.729442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.729442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.729442 (E_RNA) where: Base-Base interactions energy: -10.212 where: short stacking energy: -10.212 Base-Backbone interact. energy: -0.134 local terms energy: -26.382680 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -80.395559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.395559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.395559 (E_RNA) where: Base-Base interactions energy: -44.427 where: short stacking energy: -26.733 Base-Backbone interact. energy: 0.170 local terms energy: -36.138241 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.913 flat angles P-C4'-P energy: -5.567 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: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -74.220218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.220218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.220218 (E_RNA) where: Base-Base interactions energy: -33.824 where: short stacking energy: -33.824 Base-Backbone interact. energy: -0.000 local terms energy: -40.396095 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -10.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -61.473821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.473821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.473821 (E_RNA) where: Base-Base interactions energy: -26.863 where: short stacking energy: -26.863 Base-Backbone interact. energy: -0.000 local terms energy: -34.610413 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -6.315 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: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -48.590512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.590512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.590512 (E_RNA) where: Base-Base interactions energy: -17.307 where: short stacking energy: -17.307 Base-Backbone interact. energy: -0.010 local terms energy: -31.273341 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -7.606 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -5.914 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: 5, replica: 3 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -55.364079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.364079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.364079 (E_RNA) where: Base-Base interactions energy: -21.606 where: short stacking energy: -21.606 Base-Backbone interact. energy: -0.085 local terms energy: -33.673195 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -6.686 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: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -47.731985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.731985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.731985 (E_RNA) where: Base-Base interactions energy: -21.335 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.037 local terms energy: -26.360024 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.017 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -51.455325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.455325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.455325 (E_RNA) where: Base-Base interactions energy: -21.511 where: short stacking energy: -19.043 Base-Backbone interact. energy: -0.001 local terms energy: -29.944236 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -2.312 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: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -56.325460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.325460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.325460 (E_RNA) where: Base-Base interactions energy: -30.749 where: short stacking energy: -21.576 Base-Backbone interact. energy: -0.086 local terms energy: -25.490267 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -4.599 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: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -49.091531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.091531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.091531 (E_RNA) where: Base-Base interactions energy: -17.422 where: short stacking energy: -17.422 Base-Backbone interact. energy: -0.046 local terms energy: -31.623498 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -41.464806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.464806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.464806 (E_RNA) where: Base-Base interactions energy: -16.571 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.072 local terms energy: -24.821520 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -79.603652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.603652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.603652 (E_RNA) where: Base-Base interactions energy: -44.427 where: short stacking energy: -29.754 Base-Backbone interact. energy: -0.005 local terms energy: -35.171917 where: bonds (distance) C4'-P energy: -6.022 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -6.017 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: 2, replica: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -64.633571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.633571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.633571 (E_RNA) where: Base-Base interactions energy: -28.620 where: short stacking energy: -24.709 Base-Backbone interact. energy: -0.009 local terms energy: -36.004467 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -5.255 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: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -51.949975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.949975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.949975 (E_RNA) where: Base-Base interactions energy: -19.612 where: short stacking energy: -19.612 Base-Backbone interact. energy: -0.041 local terms energy: -32.296701 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -62.044215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.044215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.044215 (E_RNA) where: Base-Base interactions energy: -26.789 where: short stacking energy: -26.789 Base-Backbone interact. energy: -0.000 local terms energy: -35.255059 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -4.626 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: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -56.326503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.326503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.326503 (E_RNA) where: Base-Base interactions energy: -22.180 where: short stacking energy: -22.180 Base-Backbone interact. energy: -0.005 local terms energy: -34.141997 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -4.375 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: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -56.772371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.772371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.772371 (E_RNA) where: Base-Base interactions energy: -23.820 where: short stacking energy: -23.820 Base-Backbone interact. energy: -0.002 local terms energy: -32.950444 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -3.399 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: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -46.418319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.418319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.418319 (E_RNA) where: Base-Base interactions energy: -21.282 where: short stacking energy: -21.482 Base-Backbone interact. energy: 0.410 local terms energy: -25.546581 where: bonds (distance) C4'-P energy: -2.931 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -44.681530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.681530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.681530 (E_RNA) where: Base-Base interactions energy: -21.743 where: short stacking energy: -14.020 Base-Backbone interact. energy: -0.156 local terms energy: -22.782158 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.197 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: 0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -59.031441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.031441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.031441 (E_RNA) where: Base-Base interactions energy: -25.287 where: short stacking energy: -20.692 Base-Backbone interact. energy: 0.246 local terms energy: -33.991050 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -5.288 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: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -37.664103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.664103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.664103 (E_RNA) where: Base-Base interactions energy: -12.732 where: short stacking energy: -8.546 Base-Backbone interact. energy: -0.256 local terms energy: -24.676326 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: 3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -78.678575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.678575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.678575 (E_RNA) where: Base-Base interactions energy: -48.949 where: short stacking energy: -22.254 Base-Backbone interact. energy: -0.099 local terms energy: -29.630656 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -6.203 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: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -59.959332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.959332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.959332 (E_RNA) where: Base-Base interactions energy: -24.295 where: short stacking energy: -24.295 Base-Backbone interact. energy: -0.001 local terms energy: -35.663715 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -8.823 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: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -54.543047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.543047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.543047 (E_RNA) where: Base-Base interactions energy: -23.443 where: short stacking energy: -23.443 Base-Backbone interact. energy: -0.002 local terms energy: -31.097981 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -3.969 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: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -55.583734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.583734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.583734 (E_RNA) where: Base-Base interactions energy: -24.162 where: short stacking energy: -24.162 Base-Backbone interact. energy: -0.005 local terms energy: -31.417163 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -53.472619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.472619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.472619 (E_RNA) where: Base-Base interactions energy: -20.155 where: short stacking energy: -20.155 Base-Backbone interact. energy: -0.057 local terms energy: -33.261518 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -4.785 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: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -47.293355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.293355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.293355 (E_RNA) where: Base-Base interactions energy: -17.815 where: short stacking energy: -17.815 Base-Backbone interact. energy: -0.002 local terms energy: -29.476513 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -6.349 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: 7, replica: 3 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -47.029309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.029309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.029309 (E_RNA) where: Base-Base interactions energy: -20.313 where: short stacking energy: -20.313 Base-Backbone interact. energy: -0.086 local terms energy: -26.630743 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: 0.889 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -46.838048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.838048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.838048 (E_RNA) where: Base-Base interactions energy: -21.500 where: short stacking energy: -21.500 Base-Backbone interact. energy: -0.018 local terms energy: -25.320982 where: bonds (distance) C4'-P energy: -4.882 bonds (distance) P-C4' energy: -3.507 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -5.113 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: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -39.647361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.647361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.647361 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -11.986 Base-Backbone interact. energy: 0.092 local terms energy: -21.134383 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -5.854 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: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -41.358609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.358609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.358609 (E_RNA) where: Base-Base interactions energy: -12.741 where: short stacking energy: -12.737 Base-Backbone interact. energy: -0.101 local terms energy: -28.516368 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -72.239114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.239114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.239114 (E_RNA) where: Base-Base interactions energy: -32.958 where: short stacking energy: -32.233 Base-Backbone interact. energy: 0.594 local terms energy: -39.875583 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -9.975 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: 2, replica: 6 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -70.427495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.427495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.427495 (E_RNA) where: Base-Base interactions energy: -41.000 where: short stacking energy: -17.248 Base-Backbone interact. energy: -0.119 local terms energy: -29.309288 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.514 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -4.751 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: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -56.136553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.136553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.136553 (E_RNA) where: Base-Base interactions energy: -23.087 where: short stacking energy: -23.087 Base-Backbone interact. energy: -0.003 local terms energy: -33.046528 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -53.371029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.371029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.371029 (E_RNA) where: Base-Base interactions energy: -30.674 where: short stacking energy: -20.896 Base-Backbone interact. energy: -0.021 local terms energy: -22.676640 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -4.898 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -1.228 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -48.906905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.906905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.906905 (E_RNA) where: Base-Base interactions energy: -21.205 where: short stacking energy: -14.918 Base-Backbone interact. energy: -0.058 local terms energy: -27.644308 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -6.428 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: 6, replica: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -58.218042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.218042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.218042 (E_RNA) where: Base-Base interactions energy: -26.557 where: short stacking energy: -26.557 Base-Backbone interact. energy: -0.001 local terms energy: -31.660425 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -45.403114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.403114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.403114 (E_RNA) where: Base-Base interactions energy: -16.560 where: short stacking energy: -16.560 Base-Backbone interact. energy: -0.151 local terms energy: -28.692223 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -5.244 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -45.211973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.211973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.211973 (E_RNA) where: Base-Base interactions energy: -15.398 where: short stacking energy: -15.398 Base-Backbone interact. energy: -0.002 local terms energy: -29.812315 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -4.628 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: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -40.641941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.641941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.641941 (E_RNA) where: Base-Base interactions energy: -16.768 where: short stacking energy: -14.691 Base-Backbone interact. energy: -0.118 local terms energy: -23.755267 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -40.321869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.321869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.321869 (E_RNA) where: Base-Base interactions energy: -9.956 where: short stacking energy: -9.956 Base-Backbone interact. energy: 0.755 local terms energy: -31.120699 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -6.200 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: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -75.068909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.068909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.068909 (E_RNA) where: Base-Base interactions energy: -41.837 where: short stacking energy: -33.280 Base-Backbone interact. energy: -0.003 local terms energy: -33.228878 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -60.017173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.017173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.017173 (E_RNA) where: Base-Base interactions energy: -32.563 where: short stacking energy: -21.442 Base-Backbone interact. energy: -0.003 local terms energy: -27.450966 where: bonds (distance) C4'-P energy: -5.689 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -68.590433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.590433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.590433 (E_RNA) where: Base-Base interactions energy: -29.882 where: short stacking energy: -29.882 Base-Backbone interact. energy: -0.003 local terms energy: -38.705288 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -8.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -58.737738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.737738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.737738 (E_RNA) where: Base-Base interactions energy: -24.905 where: short stacking energy: -24.905 Base-Backbone interact. energy: -0.016 local terms energy: -33.816338 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -7.235 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: 5, replica: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -54.214454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.214454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.214454 (E_RNA) where: Base-Base interactions energy: -22.540 where: short stacking energy: -15.712 Base-Backbone interact. energy: 0.043 local terms energy: -31.717634 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -54.632999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.632999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.632999 (E_RNA) where: Base-Base interactions energy: -18.099 where: short stacking energy: -18.099 Base-Backbone interact. energy: -0.000 local terms energy: -36.533526 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -9.138 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -46.406921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.406921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.406921 (E_RNA) where: Base-Base interactions energy: -21.294 where: short stacking energy: -21.294 Base-Backbone interact. energy: -0.000 local terms energy: -25.112917 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -3.623 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: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -43.606772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.606772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.606772 (E_RNA) where: Base-Base interactions energy: -16.414 where: short stacking energy: -16.414 Base-Backbone interact. energy: -0.020 local terms energy: -27.173232 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -48.304708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.304708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.304708 (E_RNA) where: Base-Base interactions energy: -18.563 where: short stacking energy: -18.563 Base-Backbone interact. energy: -0.342 local terms energy: -29.399419 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -3.265 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: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -45.572138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.572138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.572138 (E_RNA) where: Base-Base interactions energy: -21.714 where: short stacking energy: -8.469 Base-Backbone interact. energy: -0.679 local terms energy: -23.178989 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: 0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -62.736019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.736019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.736019 (E_RNA) where: Base-Base interactions energy: -26.618 where: short stacking energy: -26.618 Base-Backbone interact. energy: -0.000 local terms energy: -36.117829 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -7.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -67.880401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.880401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.880401 (E_RNA) where: Base-Base interactions energy: -27.677 where: short stacking energy: -27.677 Base-Backbone interact. energy: -0.000 local terms energy: -40.203449 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -11.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -63.183284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.183284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.183284 (E_RNA) where: Base-Base interactions energy: -28.432 where: short stacking energy: -28.432 Base-Backbone interact. energy: -0.000 local terms energy: -34.751152 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -6.772 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -55.478591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.478591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.478591 (E_RNA) where: Base-Base interactions energy: -22.669 where: short stacking energy: -22.669 Base-Backbone interact. energy: -0.000 local terms energy: -32.809614 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -6.705 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: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -49.364495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.364495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.364495 (E_RNA) where: Base-Base interactions energy: -19.049 where: short stacking energy: -17.515 Base-Backbone interact. energy: -0.102 local terms energy: -30.212896 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -4.087 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: 6, replica: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -46.504576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.504576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.504576 (E_RNA) where: Base-Base interactions energy: -13.646 where: short stacking energy: -13.646 Base-Backbone interact. energy: -0.101 local terms energy: -32.757745 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -5.046 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: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -44.663914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.663914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.663914 (E_RNA) where: Base-Base interactions energy: -24.808 where: short stacking energy: -18.492 Base-Backbone interact. energy: 0.806 local terms energy: -20.661323 where: bonds (distance) C4'-P energy: -5.793 bonds (distance) P-C4' energy: -6.110 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -0.968 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -51.567824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.567824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.567824 (E_RNA) where: Base-Base interactions energy: -18.980 where: short stacking energy: -18.980 Base-Backbone interact. energy: -0.000 local terms energy: -32.587657 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -45.844717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.844717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.844717 (E_RNA) where: Base-Base interactions energy: -19.077 where: short stacking energy: -19.077 Base-Backbone interact. energy: -0.096 local terms energy: -26.671325 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -37.460361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.460361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.460361 (E_RNA) where: Base-Base interactions energy: -9.637 where: short stacking energy: -6.176 Base-Backbone interact. energy: -0.088 local terms energy: -27.735459 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -50.903551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.903551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.903551 (E_RNA) where: Base-Base interactions energy: -18.876 where: short stacking energy: -18.876 Base-Backbone interact. energy: -0.031 local terms energy: -31.996559 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -3.707 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: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -58.334451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.334451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.334451 (E_RNA) where: Base-Base interactions energy: -22.576 where: short stacking energy: -22.576 Base-Backbone interact. energy: -0.000 local terms energy: -35.758271 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -4.605 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: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -58.130375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.130375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.130375 (E_RNA) where: Base-Base interactions energy: -27.300 where: short stacking energy: -17.128 Base-Backbone interact. energy: -1.719 local terms energy: -29.110808 where: bonds (distance) C4'-P energy: -6.432 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -49.966887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.966887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.966887 (E_RNA) where: Base-Base interactions energy: -20.819 where: short stacking energy: -20.819 Base-Backbone interact. energy: -0.106 local terms energy: -29.041210 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -55.008005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.008005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.008005 (E_RNA) where: Base-Base interactions energy: -20.914 where: short stacking energy: -18.650 Base-Backbone interact. energy: -0.128 local terms energy: -33.965620 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.944 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -6.994 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: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -49.151898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.151898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.151898 (E_RNA) where: Base-Base interactions energy: -16.908 where: short stacking energy: -11.722 Base-Backbone interact. energy: -0.671 local terms energy: -31.572666 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.183 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: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -50.492015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.492015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.492015 (E_RNA) where: Base-Base interactions energy: -21.687 where: short stacking energy: -21.687 Base-Backbone interact. energy: -0.002 local terms energy: -28.802404 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -4.579 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: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -50.372623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.372623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.372623 (E_RNA) where: Base-Base interactions energy: -19.417 where: short stacking energy: -18.751 Base-Backbone interact. energy: -0.092 local terms energy: -30.863189 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -44.448019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.448019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.448019 (E_RNA) where: Base-Base interactions energy: -17.118 where: short stacking energy: -16.228 Base-Backbone interact. energy: -0.082 local terms energy: -27.248100 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -39.421493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.421493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.421493 (E_RNA) where: Base-Base interactions energy: -10.321 where: short stacking energy: -10.270 Base-Backbone interact. energy: -0.075 local terms energy: -29.025262 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -65.160084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.160084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.160084 (E_RNA) where: Base-Base interactions energy: -25.534 where: short stacking energy: -25.534 Base-Backbone interact. energy: -0.000 local terms energy: -39.626103 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -8.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -61.905719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.905719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.905719 (E_RNA) where: Base-Base interactions energy: -22.463 where: short stacking energy: -22.463 Base-Backbone interact. energy: -0.000 local terms energy: -39.442328 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -9.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -58.454985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.454985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.454985 (E_RNA) where: Base-Base interactions energy: -21.766 where: short stacking energy: -21.766 Base-Backbone interact. energy: -0.000 local terms energy: -36.688522 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -6.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -55.430647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.430647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.430647 (E_RNA) where: Base-Base interactions energy: -22.987 where: short stacking energy: -22.987 Base-Backbone interact. energy: -0.422 local terms energy: -32.020987 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -65.989223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.989223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.989223 (E_RNA) where: Base-Base interactions energy: -33.109 where: short stacking energy: -25.366 Base-Backbone interact. energy: -0.662 local terms energy: -32.218857 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -56.793013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.793013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.793013 (E_RNA) where: Base-Base interactions energy: -25.581 where: short stacking energy: -24.449 Base-Backbone interact. energy: -0.002 local terms energy: -31.210573 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -4.567 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: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -52.312616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.312616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.312616 (E_RNA) where: Base-Base interactions energy: -16.931 where: short stacking energy: -16.931 Base-Backbone interact. energy: -0.001 local terms energy: -35.380615 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.547 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: 8, replica: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -55.098007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.098007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.098007 (E_RNA) where: Base-Base interactions energy: -24.331 where: short stacking energy: -24.331 Base-Backbone interact. energy: -0.009 local terms energy: -30.757696 where: bonds (distance) C4'-P energy: -3.719 bonds (distance) P-C4' energy: -7.269 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -5.626 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: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -57.535237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.535237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.535237 (E_RNA) where: Base-Base interactions energy: -28.362 where: short stacking energy: -21.123 Base-Backbone interact. energy: -0.026 local terms energy: -29.146943 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -5.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -47.261042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.261042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.261042 (E_RNA) where: Base-Base interactions energy: -20.298 where: short stacking energy: -19.078 Base-Backbone interact. energy: -0.000 local terms energy: -26.963045 where: bonds (distance) C4'-P energy: -4.909 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -64.171376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.171376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.171376 (E_RNA) where: Base-Base interactions energy: -27.122 where: short stacking energy: -27.122 Base-Backbone interact. energy: -0.000 local terms energy: -37.049742 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -8.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -65.149778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.149778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.149778 (E_RNA) where: Base-Base interactions energy: -30.257 where: short stacking energy: -30.257 Base-Backbone interact. energy: -0.000 local terms energy: -34.892195 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -4.330 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: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -54.232810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.232810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.232810 (E_RNA) where: Base-Base interactions energy: -21.373 where: short stacking energy: -21.373 Base-Backbone interact. energy: -0.004 local terms energy: -32.855708 where: bonds (distance) C4'-P energy: -4.189 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -9.250 flat angles P-C4'-P energy: -2.766 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: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -52.930977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.930977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.930977 (E_RNA) where: Base-Base interactions energy: -19.632 where: short stacking energy: -19.632 Base-Backbone interact. energy: -0.026 local terms energy: -33.272690 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -6.308 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: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -47.167717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.167717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.167717 (E_RNA) where: Base-Base interactions energy: -18.589 where: short stacking energy: -18.589 Base-Backbone interact. energy: -0.020 local terms energy: -28.558441 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -1.971 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -5.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -48.478923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.478923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.478923 (E_RNA) where: Base-Base interactions energy: -21.086 where: short stacking energy: -20.684 Base-Backbone interact. energy: -0.135 local terms energy: -27.258266 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -52.494505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.494505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.494505 (E_RNA) where: Base-Base interactions energy: -31.799 where: short stacking energy: -8.714 Base-Backbone interact. energy: -0.181 local terms energy: -20.514221 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -5.720 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: 8, replica: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -49.321844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.321844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.321844 (E_RNA) where: Base-Base interactions energy: -22.135 where: short stacking energy: -19.710 Base-Backbone interact. energy: -0.102 local terms energy: -27.084492 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -44.337012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.337012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.337012 (E_RNA) where: Base-Base interactions energy: -17.227 where: short stacking energy: -14.075 Base-Backbone interact. energy: -0.675 local terms energy: -26.434686 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -4.554 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -4.127 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: 10, replica: 3 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -35.651004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.651004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.651004 (E_RNA) where: Base-Base interactions energy: -15.006 where: short stacking energy: -15.006 Base-Backbone interact. energy: -0.142 local terms energy: -20.502965 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -1.378 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -67.179889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.179889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.179889 (E_RNA) where: Base-Base interactions energy: -29.549 where: short stacking energy: -29.766 Base-Backbone interact. energy: -0.003 local terms energy: -37.628049 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -8.317 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: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -60.106006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.106006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.106006 (E_RNA) where: Base-Base interactions energy: -31.304 where: short stacking energy: -24.535 Base-Backbone interact. energy: -0.001 local terms energy: -28.801163 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -1.054 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -67.175254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.175254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.175254 (E_RNA) where: Base-Base interactions energy: -30.818 where: short stacking energy: -30.548 Base-Backbone interact. energy: -0.013 local terms energy: -36.344450 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -7.142 tors. eta vs tors. theta energy: -7.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -50.431327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.431327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.431327 (E_RNA) where: Base-Base interactions energy: -18.407 where: short stacking energy: -18.407 Base-Backbone interact. energy: -0.056 local terms energy: -31.969169 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -44.226580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.226580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.226580 (E_RNA) where: Base-Base interactions energy: -16.071 where: short stacking energy: -16.071 Base-Backbone interact. energy: -0.174 local terms energy: -27.981059 where: bonds (distance) C4'-P energy: -4.239 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -52.997052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.997052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.997052 (E_RNA) where: Base-Base interactions energy: -26.545 where: short stacking energy: -26.545 Base-Backbone interact. energy: -0.149 local terms energy: -26.302848 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -1.660 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: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -46.732244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.732244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.732244 (E_RNA) where: Base-Base interactions energy: -18.035 where: short stacking energy: -18.791 Base-Backbone interact. energy: -0.355 local terms energy: -28.342719 where: bonds (distance) C4'-P energy: -3.721 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -46.070678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.070678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.070678 (E_RNA) where: Base-Base interactions energy: -14.833 where: short stacking energy: -14.833 Base-Backbone interact. energy: -0.002 local terms energy: -31.234942 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -45.079973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.079973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.079973 (E_RNA) where: Base-Base interactions energy: -16.961 where: short stacking energy: -16.961 Base-Backbone interact. energy: -0.014 local terms energy: -28.104180 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -44.573749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.573749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.573749 (E_RNA) where: Base-Base interactions energy: -15.085 where: short stacking energy: -14.827 Base-Backbone interact. energy: -0.003 local terms energy: -29.485301 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -78.163098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.163098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.163098 (E_RNA) where: Base-Base interactions energy: -34.638 where: short stacking energy: -34.638 Base-Backbone interact. energy: -0.000 local terms energy: -43.525321 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -6.681 tors. eta vs tors. theta energy: -11.863 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: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -64.744698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.744698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.744698 (E_RNA) where: Base-Base interactions energy: -32.533 where: short stacking energy: -32.533 Base-Backbone interact. energy: -0.001 local terms energy: -32.211403 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.057 flat angles P-C4'-P energy: -5.510 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: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -71.428261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.428261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.428261 (E_RNA) where: Base-Base interactions energy: -34.274 where: short stacking energy: -34.274 Base-Backbone interact. energy: -0.000 local terms energy: -37.154312 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -9.397 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: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -54.092747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.092747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.092747 (E_RNA) where: Base-Base interactions energy: -17.049 where: short stacking energy: -7.990 Base-Backbone interact. energy: -0.002 local terms energy: -37.041389 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -7.926 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: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -50.747647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.747647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.747647 (E_RNA) where: Base-Base interactions energy: -19.083 where: short stacking energy: -18.797 Base-Backbone interact. energy: -0.092 local terms energy: -31.572253 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.238 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -4.492 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: 275 Temperature: 1.150000 Total energy: -51.902945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.902945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.902945 (E_RNA) where: Base-Base interactions energy: -22.177 where: short stacking energy: -20.883 Base-Backbone interact. energy: -0.048 local terms energy: -29.677823 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -4.879 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: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -52.006013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.006013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.006013 (E_RNA) where: Base-Base interactions energy: -25.135 where: short stacking energy: -20.597 Base-Backbone interact. energy: 0.735 local terms energy: -27.606121 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -3.414 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -59.542085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.542085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.542085 (E_RNA) where: Base-Base interactions energy: -29.652 where: short stacking energy: -23.598 Base-Backbone interact. energy: -2.714 local terms energy: -27.175807 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -3.018 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -4.278 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: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -41.791559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.791559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.791559 (E_RNA) where: Base-Base interactions energy: -13.292 where: short stacking energy: -10.111 Base-Backbone interact. energy: 0.159 local terms energy: -28.657940 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -40.728521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.728521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.728521 (E_RNA) where: Base-Base interactions energy: -17.549 where: short stacking energy: -17.549 Base-Backbone interact. energy: -0.095 local terms energy: -23.085013 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -0.521 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: 1, replica: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -63.616254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.616254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.616254 (E_RNA) where: Base-Base interactions energy: -26.277 where: short stacking energy: -21.623 Base-Backbone interact. energy: -0.010 local terms energy: -37.328713 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -6.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -69.343876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.343876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.343876 (E_RNA) where: Base-Base interactions energy: -30.719 where: short stacking energy: -30.719 Base-Backbone interact. energy: -0.002 local terms energy: -38.623105 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -7.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -63.339756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.339756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.339756 (E_RNA) where: Base-Base interactions energy: -26.929 where: short stacking energy: -26.929 Base-Backbone interact. energy: -0.000 local terms energy: -36.410715 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -7.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -63.370339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.370339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.370339 (E_RNA) where: Base-Base interactions energy: -26.300 where: short stacking energy: -26.300 Base-Backbone interact. energy: -0.000 local terms energy: -37.069861 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -7.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -64.348448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.348448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.348448 (E_RNA) where: Base-Base interactions energy: -30.315 where: short stacking energy: -30.315 Base-Backbone interact. energy: -0.001 local terms energy: -34.032497 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -10.003 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: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -52.898873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.898873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.898873 (E_RNA) where: Base-Base interactions energy: -20.595 where: short stacking energy: -20.595 Base-Backbone interact. energy: -0.001 local terms energy: -32.303278 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -5.016 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: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -45.697139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.697139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.697139 (E_RNA) where: Base-Base interactions energy: -17.381 where: short stacking energy: -17.381 Base-Backbone interact. energy: -0.000 local terms energy: -28.316175 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -7.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -45.809772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.809772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.809772 (E_RNA) where: Base-Base interactions energy: -17.177 where: short stacking energy: -17.177 Base-Backbone interact. energy: -0.196 local terms energy: -28.436091 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -7.127 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: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -40.485325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.485325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.485325 (E_RNA) where: Base-Base interactions energy: -15.469 where: short stacking energy: -15.469 Base-Backbone interact. energy: -0.001 local terms energy: -25.015804 where: bonds (distance) C4'-P energy: -2.306 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -48.227682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.227682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.227682 (E_RNA) where: Base-Base interactions energy: -19.907 where: short stacking energy: -19.907 Base-Backbone interact. energy: -0.002 local terms energy: -28.319212 where: bonds (distance) C4'-P energy: -4.896 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -61.911514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.911514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.911514 (E_RNA) where: Base-Base interactions energy: -24.156 where: short stacking energy: -24.156 Base-Backbone interact. energy: -0.000 local terms energy: -37.755697 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.874 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -9.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -58.114251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.114251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.114251 (E_RNA) where: Base-Base interactions energy: -23.525 where: short stacking energy: -23.525 Base-Backbone interact. energy: -0.002 local terms energy: -34.587433 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -59.790265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.790265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.790265 (E_RNA) where: Base-Base interactions energy: -28.596 where: short stacking energy: -28.596 Base-Backbone interact. energy: -0.003 local terms energy: -31.191737 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -58.199757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.199757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.199757 (E_RNA) where: Base-Base interactions energy: -25.448 where: short stacking energy: -25.448 Base-Backbone interact. energy: -0.165 local terms energy: -32.587027 where: bonds (distance) C4'-P energy: -5.229 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -50.712109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.712109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.712109 (E_RNA) where: Base-Base interactions energy: -21.550 where: short stacking energy: -21.550 Base-Backbone interact. energy: -0.017 local terms energy: -29.145307 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -6.560 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: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -52.193758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.193758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.193758 (E_RNA) where: Base-Base interactions energy: -22.618 where: short stacking energy: -22.618 Base-Backbone interact. energy: -0.000 local terms energy: -29.574859 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -49.758224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.758224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.758224 (E_RNA) where: Base-Base interactions energy: -20.099 where: short stacking energy: -15.464 Base-Backbone interact. energy: -0.012 local terms energy: -29.647736 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -5.544 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: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -40.280311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.280311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.280311 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: 0.409 local terms energy: -27.558603 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: 1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -57.767101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.767101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.767101 (E_RNA) where: Base-Base interactions energy: -29.488 where: short stacking energy: -15.364 Base-Backbone interact. energy: -0.271 local terms energy: -28.008841 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: 0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -43.728188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.728188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.728188 (E_RNA) where: Base-Base interactions energy: -18.871 where: short stacking energy: -18.871 Base-Backbone interact. energy: -0.070 local terms energy: -24.786987 where: bonds (distance) C4'-P energy: -3.800 bonds (distance) P-C4' energy: -4.781 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -4.270 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: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -64.430698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.430698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.430698 (E_RNA) where: Base-Base interactions energy: -30.945 where: short stacking energy: -30.268 Base-Backbone interact. energy: -0.000 local terms energy: -33.486025 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: -9.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -67.403339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.403339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.403339 (E_RNA) where: Base-Base interactions energy: -28.773 where: short stacking energy: -28.773 Base-Backbone interact. energy: -0.000 local terms energy: -38.629869 where: bonds (distance) C4'-P energy: -7.422 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -9.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -63.739376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.739376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.739376 (E_RNA) where: Base-Base interactions energy: -24.186 where: short stacking energy: -24.186 Base-Backbone interact. energy: -0.000 local terms energy: -39.553436 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -8.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -62.711916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.711916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.711916 (E_RNA) where: Base-Base interactions energy: -32.395 where: short stacking energy: -21.883 Base-Backbone interact. energy: -0.277 local terms energy: -30.039586 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -5.043 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: 5, replica: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -53.541556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.541556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.541556 (E_RNA) where: Base-Base interactions energy: -21.237 where: short stacking energy: -21.237 Base-Backbone interact. energy: -0.001 local terms energy: -32.302826 where: bonds (distance) C4'-P energy: -7.771 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -6.604 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: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -62.902422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.902422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.902422 (E_RNA) where: Base-Base interactions energy: -30.315 where: short stacking energy: -30.315 Base-Backbone interact. energy: -0.002 local terms energy: -32.585661 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -3.996 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: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -43.795211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.795211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.795211 (E_RNA) where: Base-Base interactions energy: -17.218 where: short stacking energy: -17.218 Base-Backbone interact. energy: -0.095 local terms energy: -26.482554 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -43.501032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.501032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.501032 (E_RNA) where: Base-Base interactions energy: -12.541 where: short stacking energy: -12.541 Base-Backbone interact. energy: -0.033 local terms energy: -30.927758 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -6.856 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: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -50.037332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.037332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.037332 (E_RNA) where: Base-Base interactions energy: -18.702 where: short stacking energy: -18.702 Base-Backbone interact. energy: -0.017 local terms energy: -31.318230 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -5.144 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: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -46.773019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.773019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.773019 (E_RNA) where: Base-Base interactions energy: -16.019 where: short stacking energy: -15.588 Base-Backbone interact. energy: -0.140 local terms energy: -30.613820 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -60.340450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.340450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.340450 (E_RNA) where: Base-Base interactions energy: -25.097 where: short stacking energy: -25.097 Base-Backbone interact. energy: -0.424 local terms energy: -34.819557 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -4.624 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: 4 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -53.686078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.686078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.686078 (E_RNA) where: Base-Base interactions energy: -22.927 where: short stacking energy: -22.927 Base-Backbone interact. energy: -0.029 local terms energy: -30.729158 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -61.064137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.064137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.064137 (E_RNA) where: Base-Base interactions energy: -26.466 where: short stacking energy: -26.466 Base-Backbone interact. energy: -0.078 local terms energy: -34.519470 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -5.699 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: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -57.927567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.927567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.927567 (E_RNA) where: Base-Base interactions energy: -21.920 where: short stacking energy: -21.920 Base-Backbone interact. energy: -0.012 local terms energy: -35.995798 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.388 flat angles P-C4'-P energy: -5.763 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: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -53.270172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.270172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.270172 (E_RNA) where: Base-Base interactions energy: -24.728 where: short stacking energy: -14.974 Base-Backbone interact. energy: -0.149 local terms energy: -28.393221 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -4.042 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: 6, replica: 9 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -47.521113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.521113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.521113 (E_RNA) where: Base-Base interactions energy: -17.341 where: short stacking energy: -17.341 Base-Backbone interact. energy: -0.029 local terms energy: -30.150341 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -3.089 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: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -51.195939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.195939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.195939 (E_RNA) where: Base-Base interactions energy: -19.201 where: short stacking energy: -17.941 Base-Backbone interact. energy: -0.001 local terms energy: -31.994097 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -45.033808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.033808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.033808 (E_RNA) where: Base-Base interactions energy: -15.822 where: short stacking energy: -15.822 Base-Backbone interact. energy: -0.023 local terms energy: -29.188973 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -38.832391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.832391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.832391 (E_RNA) where: Base-Base interactions energy: -18.403 where: short stacking energy: -18.401 Base-Backbone interact. energy: -0.045 local terms energy: -20.384123 where: bonds (distance) C4'-P energy: -1.325 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -44.018870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.018870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.018870 (E_RNA) where: Base-Base interactions energy: -18.487 where: short stacking energy: -18.487 Base-Backbone interact. energy: 0.507 local terms energy: -26.038395 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -3.501 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: 1, replica: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -68.095137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.095137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.095137 (E_RNA) where: Base-Base interactions energy: -30.552 where: short stacking energy: -30.552 Base-Backbone interact. energy: -0.000 local terms energy: -37.542829 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -6.025 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: 2, replica: 4 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -57.947180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.947180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.947180 (E_RNA) where: Base-Base interactions energy: -25.420 where: short stacking energy: -25.420 Base-Backbone interact. energy: -0.003 local terms energy: -32.524481 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -58.389075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.389075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.389075 (E_RNA) where: Base-Base interactions energy: -25.095 where: short stacking energy: -25.095 Base-Backbone interact. energy: -0.000 local terms energy: -33.294135 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -2.956 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: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -56.972562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.972562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.972562 (E_RNA) where: Base-Base interactions energy: -21.299 where: short stacking energy: -21.299 Base-Backbone interact. energy: -0.072 local terms energy: -35.601674 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -5.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -48.514039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.514039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.514039 (E_RNA) where: Base-Base interactions energy: -26.604 where: short stacking energy: -20.202 Base-Backbone interact. energy: 1.688 local terms energy: -23.598033 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -2.971 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: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -55.274110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.274110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.274110 (E_RNA) where: Base-Base interactions energy: -24.289 where: short stacking energy: -18.909 Base-Backbone interact. energy: -0.055 local terms energy: -30.929521 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -3.142 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: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -45.642293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.642293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.642293 (E_RNA) where: Base-Base interactions energy: -16.992 where: short stacking energy: -16.992 Base-Backbone interact. energy: -0.002 local terms energy: -28.648436 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -4.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -46.181760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.181760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.181760 (E_RNA) where: Base-Base interactions energy: -21.908 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.055 local terms energy: -24.219390 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -3.118 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: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -45.361793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.361793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.361793 (E_RNA) where: Base-Base interactions energy: -17.042 where: short stacking energy: -17.042 Base-Backbone interact. energy: -0.120 local terms energy: -28.199679 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -4.594 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -4.599 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: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -42.998390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.998390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.998390 (E_RNA) where: Base-Base interactions energy: -12.596 where: short stacking energy: -12.596 Base-Backbone interact. energy: -0.000 local terms energy: -30.402366 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -7.209 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: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -63.408616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.408616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.408616 (E_RNA) where: Base-Base interactions energy: -26.726 where: short stacking energy: -26.726 Base-Backbone interact. energy: -0.011 local terms energy: -36.672008 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -62.724221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.724221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.724221 (E_RNA) where: Base-Base interactions energy: -24.354 where: short stacking energy: -24.354 Base-Backbone interact. energy: -0.000 local terms energy: -38.369982 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -9.213 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: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -56.594014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.594014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.594014 (E_RNA) where: Base-Base interactions energy: -21.541 where: short stacking energy: -21.024 Base-Backbone interact. energy: -0.016 local terms energy: -35.037761 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -4.746 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: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -55.480084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.480084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.480084 (E_RNA) where: Base-Base interactions energy: -23.090 where: short stacking energy: -23.776 Base-Backbone interact. energy: -0.115 local terms energy: -32.274707 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -8.895 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -53.810679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.810679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.810679 (E_RNA) where: Base-Base interactions energy: -24.004 where: short stacking energy: -24.004 Base-Backbone interact. energy: -0.001 local terms energy: -29.805826 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -2.338 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: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -50.557007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.557007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.557007 (E_RNA) where: Base-Base interactions energy: -22.891 where: short stacking energy: -22.891 Base-Backbone interact. energy: -0.054 local terms energy: -27.612746 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -48.000674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.000674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.000674 (E_RNA) where: Base-Base interactions energy: -18.310 where: short stacking energy: -18.310 Base-Backbone interact. energy: -0.004 local terms energy: -29.686522 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -46.276015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.276015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.276015 (E_RNA) where: Base-Base interactions energy: -18.607 where: short stacking energy: -18.607 Base-Backbone interact. energy: -0.004 local terms energy: -27.664728 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -44.167228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.167228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.167228 (E_RNA) where: Base-Base interactions energy: -19.312 where: short stacking energy: -18.416 Base-Backbone interact. energy: 1.053 local terms energy: -25.908331 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -5.821 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: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -43.760378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.760378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.760378 (E_RNA) where: Base-Base interactions energy: -15.352 where: short stacking energy: -15.352 Base-Backbone interact. energy: -0.010 local terms energy: -28.398902 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -3.727 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -64.122292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.122292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.122292 (E_RNA) where: Base-Base interactions energy: -27.667 where: short stacking energy: -27.173 Base-Backbone interact. energy: -0.000 local terms energy: -36.454831 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -5.000 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: 2, replica: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -64.303934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.303934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.303934 (E_RNA) where: Base-Base interactions energy: -29.500 where: short stacking energy: -29.500 Base-Backbone interact. energy: -0.003 local terms energy: -34.801479 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -9.032 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: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -54.515069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.515069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.515069 (E_RNA) where: Base-Base interactions energy: -24.531 where: short stacking energy: -24.531 Base-Backbone interact. energy: -0.176 local terms energy: -29.808757 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -6.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -59.743228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.743228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.743228 (E_RNA) where: Base-Base interactions energy: -30.474 where: short stacking energy: -17.387 Base-Backbone interact. energy: -0.711 local terms energy: -28.558359 where: bonds (distance) C4'-P energy: -4.952 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -51.036435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.036435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.036435 (E_RNA) where: Base-Base interactions energy: -17.441 where: short stacking energy: -17.441 Base-Backbone interact. energy: -0.000 local terms energy: -33.595035 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -3.087 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: 6, replica: 7 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -51.471768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.471768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.471768 (E_RNA) where: Base-Base interactions energy: -15.181 where: short stacking energy: -15.181 Base-Backbone interact. energy: -0.001 local terms energy: -36.289714 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -46.681872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.681872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.681872 (E_RNA) where: Base-Base interactions energy: -17.164 where: short stacking energy: -17.164 Base-Backbone interact. energy: -0.009 local terms energy: -29.508288 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -3.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -47.748837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.748837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.748837 (E_RNA) where: Base-Base interactions energy: -23.135 where: short stacking energy: -13.725 Base-Backbone interact. energy: -0.002 local terms energy: -24.611271 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -2.362 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: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -45.344619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.344619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.344619 (E_RNA) where: Base-Base interactions energy: -16.356 where: short stacking energy: -16.356 Base-Backbone interact. energy: -0.134 local terms energy: -28.855192 where: bonds (distance) C4'-P energy: -7.050 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -3.166 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: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -37.643329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.643329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.643329 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.021 local terms energy: -23.162769 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -5.223 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -62.513891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.513891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.513891 (E_RNA) where: Base-Base interactions energy: -29.631 where: short stacking energy: -29.631 Base-Backbone interact. energy: -0.032 local terms energy: -32.850785 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -9.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -62.381667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.381667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.381667 (E_RNA) where: Base-Base interactions energy: -28.009 where: short stacking energy: -28.009 Base-Backbone interact. energy: -0.003 local terms energy: -34.369663 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -8.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -63.962827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.962827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.962827 (E_RNA) where: Base-Base interactions energy: -30.540 where: short stacking energy: -30.540 Base-Backbone interact. energy: -0.000 local terms energy: -33.423005 where: bonds (distance) C4'-P energy: -5.208 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -1.334 tors. eta vs tors. theta energy: -8.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -52.079064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.079064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.079064 (E_RNA) where: Base-Base interactions energy: -19.763 where: short stacking energy: -19.763 Base-Backbone interact. energy: -0.010 local terms energy: -32.305971 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -53.225816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.225816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.225816 (E_RNA) where: Base-Base interactions energy: -20.267 where: short stacking energy: -20.267 Base-Backbone interact. energy: -0.000 local terms energy: -32.959130 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -47.449211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.449211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.449211 (E_RNA) where: Base-Base interactions energy: -16.348 where: short stacking energy: -16.348 Base-Backbone interact. energy: -0.105 local terms energy: -30.996143 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -6.096 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: 7, replica: 7 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -42.208881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.208881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.208881 (E_RNA) where: Base-Base interactions energy: -17.482 where: short stacking energy: -17.482 Base-Backbone interact. energy: -0.013 local terms energy: -24.714074 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -5.787 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: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -52.110147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.110147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.110147 (E_RNA) where: Base-Base interactions energy: -20.599 where: short stacking energy: -20.599 Base-Backbone interact. energy: -0.000 local terms energy: -31.510724 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -41.914708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.914708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.914708 (E_RNA) where: Base-Base interactions energy: -12.961 where: short stacking energy: -12.961 Base-Backbone interact. energy: -0.136 local terms energy: -28.818023 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -3.461 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: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -41.121642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.121642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.121642 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.000 local terms energy: -28.231006 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.399 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: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -61.916591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.916591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.916591 (E_RNA) where: Base-Base interactions energy: -27.721 where: short stacking energy: -19.719 Base-Backbone interact. energy: -0.014 local terms energy: -34.181762 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -61.465955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.465955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.465955 (E_RNA) where: Base-Base interactions energy: -27.532 where: short stacking energy: -27.507 Base-Backbone interact. energy: -0.021 local terms energy: -33.912946 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -5.961 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: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -55.418208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.418208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.418208 (E_RNA) where: Base-Base interactions energy: -23.813 where: short stacking energy: -23.283 Base-Backbone interact. energy: -0.041 local terms energy: -31.564472 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -6.156 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: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -62.797391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.797391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.797391 (E_RNA) where: Base-Base interactions energy: -27.190 where: short stacking energy: -20.807 Base-Backbone interact. energy: -0.001 local terms energy: -35.606832 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.771 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -54.501276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.501276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.501276 (E_RNA) where: Base-Base interactions energy: -21.751 where: short stacking energy: -18.561 Base-Backbone interact. energy: -0.106 local terms energy: -32.644128 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -6.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -60.442889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.442889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.442889 (E_RNA) where: Base-Base interactions energy: -25.323 where: short stacking energy: -25.323 Base-Backbone interact. energy: -0.093 local terms energy: -35.026818 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -8.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -51.040355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.040355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.040355 (E_RNA) where: Base-Base interactions energy: -20.083 where: short stacking energy: -20.083 Base-Backbone interact. energy: -0.000 local terms energy: -30.957107 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -4.907 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -43.998773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.998773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.998773 (E_RNA) where: Base-Base interactions energy: -16.338 where: short stacking energy: -11.060 Base-Backbone interact. energy: -0.015 local terms energy: -27.646305 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -48.823095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.823095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.823095 (E_RNA) where: Base-Base interactions energy: -16.512 where: short stacking energy: -16.512 Base-Backbone interact. energy: -0.000 local terms energy: -32.311447 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -7.780 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: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -42.562725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.562725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.562725 (E_RNA) where: Base-Base interactions energy: -20.372 where: short stacking energy: -20.372 Base-Backbone interact. energy: 0.091 local terms energy: -22.281370 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -62.224728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.224728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.224728 (E_RNA) where: Base-Base interactions energy: -30.711 where: short stacking energy: -30.711 Base-Backbone interact. energy: -0.042 local terms energy: -31.471277 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -6.432 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: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -66.095298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.095298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.095298 (E_RNA) where: Base-Base interactions energy: -31.367 where: short stacking energy: -31.367 Base-Backbone interact. energy: -0.000 local terms energy: -34.727988 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -8.247 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: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -61.948798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.948798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.948798 (E_RNA) where: Base-Base interactions energy: -27.539 where: short stacking energy: -27.539 Base-Backbone interact. energy: -0.001 local terms energy: -34.409264 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -8.343 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -54.019025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.019025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.019025 (E_RNA) where: Base-Base interactions energy: -22.836 where: short stacking energy: -22.836 Base-Backbone interact. energy: -0.000 local terms energy: -31.183291 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -5.745 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: 5, replica: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -68.480041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.480041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.480041 (E_RNA) where: Base-Base interactions energy: -31.495 where: short stacking energy: -28.674 Base-Backbone interact. energy: -0.310 local terms energy: -36.675094 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -6.051 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: 6, replica: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -45.210069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.210069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.210069 (E_RNA) where: Base-Base interactions energy: -13.697 where: short stacking energy: -13.697 Base-Backbone interact. energy: -0.001 local terms energy: -31.511539 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.888 flat angles P-C4'-P energy: -5.158 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: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -48.087809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.087809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.087809 (E_RNA) where: Base-Base interactions energy: -13.714 where: short stacking energy: -13.714 Base-Backbone interact. energy: -0.042 local terms energy: -34.331424 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -9.570 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -43.291047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.291047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.291047 (E_RNA) where: Base-Base interactions energy: -15.478 where: short stacking energy: -15.478 Base-Backbone interact. energy: -0.004 local terms energy: -27.809192 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -42.398690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.398690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.398690 (E_RNA) where: Base-Base interactions energy: -12.394 where: short stacking energy: -11.622 Base-Backbone interact. energy: 1.247 local terms energy: -31.251991 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -3.671 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: 10, replica: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -38.640109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.640109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.640109 (E_RNA) where: Base-Base interactions energy: -9.389 where: short stacking energy: -9.176 Base-Backbone interact. energy: -0.184 local terms energy: -29.066594 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -6.534 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: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -68.965767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.965767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.965767 (E_RNA) where: Base-Base interactions energy: -29.345 where: short stacking energy: -29.345 Base-Backbone interact. energy: -0.000 local terms energy: -39.621051 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -5.594 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: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -54.146689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.146689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.146689 (E_RNA) where: Base-Base interactions energy: -22.665 where: short stacking energy: -22.665 Base-Backbone interact. energy: -0.055 local terms energy: -31.426173 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -57.924050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.924050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.924050 (E_RNA) where: Base-Base interactions energy: -27.347 where: short stacking energy: -21.201 Base-Backbone interact. energy: -0.000 local terms energy: -30.577036 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -5.483 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -48.924741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.924741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.924741 (E_RNA) where: Base-Base interactions energy: -18.970 where: short stacking energy: -18.970 Base-Backbone interact. energy: -0.085 local terms energy: -29.869895 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -54.493455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.493455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.493455 (E_RNA) where: Base-Base interactions energy: -21.368 where: short stacking energy: -21.368 Base-Backbone interact. energy: 0.297 local terms energy: -33.422168 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -51.174582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.174582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.174582 (E_RNA) where: Base-Base interactions energy: -17.681 where: short stacking energy: -17.681 Base-Backbone interact. energy: -0.007 local terms energy: -33.486223 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -42.471554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.471554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.471554 (E_RNA) where: Base-Base interactions energy: -15.093 where: short stacking energy: -15.093 Base-Backbone interact. energy: -0.001 local terms energy: -27.378404 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -45.436529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.436529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.436529 (E_RNA) where: Base-Base interactions energy: -20.220 where: short stacking energy: -17.922 Base-Backbone interact. energy: -0.000 local terms energy: -25.216652 where: bonds (distance) C4'-P energy: -3.461 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -47.142057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.142057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.142057 (E_RNA) where: Base-Base interactions energy: -20.667 where: short stacking energy: -13.834 Base-Backbone interact. energy: -0.251 local terms energy: -26.223091 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.803 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -4.617 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: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -47.919317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.919317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.919317 (E_RNA) where: Base-Base interactions energy: -14.063 where: short stacking energy: -14.063 Base-Backbone interact. energy: -0.008 local terms energy: -33.848627 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -72.432643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.432643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.432643 (E_RNA) where: Base-Base interactions energy: -33.327 where: short stacking energy: -33.327 Base-Backbone interact. energy: -0.000 local terms energy: -39.105799 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -10.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -55.389815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.389815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.389815 (E_RNA) where: Base-Base interactions energy: -19.751 where: short stacking energy: -19.751 Base-Backbone interact. energy: -0.001 local terms energy: -35.638636 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -58.026943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.026943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.026943 (E_RNA) where: Base-Base interactions energy: -27.204 where: short stacking energy: -27.204 Base-Backbone interact. energy: -0.072 local terms energy: -30.751015 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -5.836 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: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -66.428423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.428423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.428423 (E_RNA) where: Base-Base interactions energy: -31.339 where: short stacking energy: -21.400 Base-Backbone interact. energy: -0.003 local terms energy: -35.086475 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -8.288 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: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -51.832218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.832218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.832218 (E_RNA) where: Base-Base interactions energy: -21.298 where: short stacking energy: -21.298 Base-Backbone interact. energy: -0.004 local terms energy: -30.529606 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -6.674 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: 6, replica: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -45.911031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.911031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.911031 (E_RNA) where: Base-Base interactions energy: -16.784 where: short stacking energy: -16.619 Base-Backbone interact. energy: -0.054 local terms energy: -29.073321 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -4.872 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: 7, replica: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -52.964754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.964754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.964754 (E_RNA) where: Base-Base interactions energy: -21.557 where: short stacking energy: -19.635 Base-Backbone interact. energy: 0.996 local terms energy: -32.403566 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.532 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -5.062 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: 8, replica: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -51.977300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.977300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.977300 (E_RNA) where: Base-Base interactions energy: -27.487 where: short stacking energy: -19.758 Base-Backbone interact. energy: 0.019 local terms energy: -24.508408 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -1.421 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: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -42.143044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.143044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.143044 (E_RNA) where: Base-Base interactions energy: -15.977 where: short stacking energy: -14.687 Base-Backbone interact. energy: 0.426 local terms energy: -26.592924 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -3.536 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: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -42.934696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.934696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.934696 (E_RNA) where: Base-Base interactions energy: -19.183 where: short stacking energy: -10.952 Base-Backbone interact. energy: -0.107 local terms energy: -23.643931 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: 1.837 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: 288 Temperature: 0.900000 Total energy: -72.388656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.388656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.388656 (E_RNA) where: Base-Base interactions energy: -34.819 where: short stacking energy: -34.819 Base-Backbone interact. energy: -0.000 local terms energy: -37.569919 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -11.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -66.168231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.168231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.168231 (E_RNA) where: Base-Base interactions energy: -32.451 where: short stacking energy: -15.781 Base-Backbone interact. energy: -0.516 local terms energy: -33.201247 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -3.157 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: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -66.632331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.632331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.632331 (E_RNA) where: Base-Base interactions energy: -29.629 where: short stacking energy: -29.629 Base-Backbone interact. energy: -0.001 local terms energy: -37.002249 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -6.082 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: 4, replica: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -50.431849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.431849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.431849 (E_RNA) where: Base-Base interactions energy: -19.751 where: short stacking energy: -19.751 Base-Backbone interact. energy: -0.032 local terms energy: -30.649580 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -5.799 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: 5, replica: 9 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -54.439009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.439009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.439009 (E_RNA) where: Base-Base interactions energy: -22.768 where: short stacking energy: -22.768 Base-Backbone interact. energy: -0.000 local terms energy: -31.671072 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -54.444361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.444361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.444361 (E_RNA) where: Base-Base interactions energy: -26.449 where: short stacking energy: -26.449 Base-Backbone interact. energy: -0.781 local terms energy: -27.213630 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -5.453 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: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -45.711713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.711713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.711713 (E_RNA) where: Base-Base interactions energy: -18.458 where: short stacking energy: -18.458 Base-Backbone interact. energy: -0.043 local terms energy: -27.210601 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -46.047885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.047885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.047885 (E_RNA) where: Base-Base interactions energy: -17.428 where: short stacking energy: -13.380 Base-Backbone interact. energy: -0.003 local terms energy: -28.617136 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -46.732075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.732075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.732075 (E_RNA) where: Base-Base interactions energy: -22.234 where: short stacking energy: -15.275 Base-Backbone interact. energy: -0.100 local terms energy: -24.398748 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.205 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -6.918 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -41.443233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.443233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.443233 (E_RNA) where: Base-Base interactions energy: -8.051 where: short stacking energy: -8.051 Base-Backbone interact. energy: -0.008 local terms energy: -33.384483 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -78.624094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.624094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.624094 (E_RNA) where: Base-Base interactions energy: -40.228 where: short stacking energy: -27.500 Base-Backbone interact. energy: -0.010 local terms energy: -38.385666 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -9.083 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -67.496025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.496025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.496025 (E_RNA) where: Base-Base interactions energy: -35.893 where: short stacking energy: -22.615 Base-Backbone interact. energy: -0.056 local terms energy: -31.546978 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -3.925 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: 3, replica: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -62.323634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.323634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.323634 (E_RNA) where: Base-Base interactions energy: -30.295 where: short stacking energy: -30.295 Base-Backbone interact. energy: -0.019 local terms energy: -32.009617 where: bonds (distance) C4'-P energy: -4.355 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -51.510504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.510504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.510504 (E_RNA) where: Base-Base interactions energy: -20.221 where: short stacking energy: -20.221 Base-Backbone interact. energy: -0.038 local terms energy: -31.251268 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -6.440 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: 5, replica: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -52.396056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.396056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.396056 (E_RNA) where: Base-Base interactions energy: -19.771 where: short stacking energy: -19.771 Base-Backbone interact. energy: -0.007 local terms energy: -32.618290 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -49.130163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.130163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.130163 (E_RNA) where: Base-Base interactions energy: -20.463 where: short stacking energy: -11.387 Base-Backbone interact. energy: -0.003 local terms energy: -28.664570 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -45.820640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.820640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.820640 (E_RNA) where: Base-Base interactions energy: -16.869 where: short stacking energy: -15.714 Base-Backbone interact. energy: -0.000 local terms energy: -28.951749 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -42.470773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.470773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.470773 (E_RNA) where: Base-Base interactions energy: -16.682 where: short stacking energy: -16.682 Base-Backbone interact. energy: -0.010 local terms energy: -25.778779 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -40.951446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.951446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.951446 (E_RNA) where: Base-Base interactions energy: -16.801 where: short stacking energy: -16.801 Base-Backbone interact. energy: 0.370 local terms energy: -24.520259 where: bonds (distance) C4'-P energy: -1.797 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -40.574186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.574186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.574186 (E_RNA) where: Base-Base interactions energy: -18.734 where: short stacking energy: -15.593 Base-Backbone interact. energy: -0.014 local terms energy: -21.825333 where: bonds (distance) C4'-P energy: -2.889 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -66.905779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.905779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.905779 (E_RNA) where: Base-Base interactions energy: -30.127 where: short stacking energy: -14.323 Base-Backbone interact. energy: -0.224 local terms energy: -36.554649 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -7.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -61.768183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.768183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.768183 (E_RNA) where: Base-Base interactions energy: -29.213 where: short stacking energy: -29.213 Base-Backbone interact. energy: -0.098 local terms energy: -32.457480 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -5.598 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -69.008266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.008266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.008266 (E_RNA) where: Base-Base interactions energy: -33.241 where: short stacking energy: -25.206 Base-Backbone interact. energy: -0.006 local terms energy: -35.761997 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -5.902 flat angles C4'-P-C4' energy: -9.325 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -57.368192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.368192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.368192 (E_RNA) where: Base-Base interactions energy: -28.255 where: short stacking energy: -20.082 Base-Backbone interact. energy: -0.388 local terms energy: -28.725000 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -4.334 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: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -55.609034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.609034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.609034 (E_RNA) where: Base-Base interactions energy: -21.792 where: short stacking energy: -21.792 Base-Backbone interact. energy: -0.002 local terms energy: -33.815287 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -5.641 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: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -52.773123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.773123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.773123 (E_RNA) where: Base-Base interactions energy: -22.062 where: short stacking energy: -11.842 Base-Backbone interact. energy: -0.024 local terms energy: -30.687428 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -47.665635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.665635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.665635 (E_RNA) where: Base-Base interactions energy: -21.295 where: short stacking energy: -21.295 Base-Backbone interact. energy: 0.352 local terms energy: -26.722613 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -7.505 flat angles C4'-P-C4' energy: -2.597 flat angles P-C4'-P energy: -4.891 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: 8, replica: 8 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -45.423981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.423981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.423981 (E_RNA) where: Base-Base interactions energy: -15.284 where: short stacking energy: -15.284 Base-Backbone interact. energy: -0.001 local terms energy: -30.138961 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -46.923935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.923935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.923935 (E_RNA) where: Base-Base interactions energy: -18.450 where: short stacking energy: -18.450 Base-Backbone interact. energy: -0.007 local terms energy: -28.466914 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -6.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -38.759705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.759705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.759705 (E_RNA) where: Base-Base interactions energy: -11.409 where: short stacking energy: -11.409 Base-Backbone interact. energy: -0.076 local terms energy: -27.274823 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -2.620 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: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -65.774225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.774225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.774225 (E_RNA) where: Base-Base interactions energy: -33.941 where: short stacking energy: -29.503 Base-Backbone interact. energy: -0.009 local terms energy: -31.824515 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -5.668 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: 2, replica: 9 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -73.683300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.683300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.683300 (E_RNA) where: Base-Base interactions energy: -41.675 where: short stacking energy: -22.596 Base-Backbone interact. energy: 0.066 local terms energy: -32.074158 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -3.566 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: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -56.100406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.100406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.100406 (E_RNA) where: Base-Base interactions energy: -19.366 where: short stacking energy: -19.366 Base-Backbone interact. energy: -0.001 local terms energy: -36.733104 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -5.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -53.060354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.060354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.060354 (E_RNA) where: Base-Base interactions energy: -22.916 where: short stacking energy: -22.565 Base-Backbone interact. energy: -0.000 local terms energy: -30.144056 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -49.537001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.537001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.537001 (E_RNA) where: Base-Base interactions energy: -19.948 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.015 local terms energy: -29.574214 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -50.663040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.663040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.663040 (E_RNA) where: Base-Base interactions energy: -19.336 where: short stacking energy: -19.336 Base-Backbone interact. energy: -0.004 local terms energy: -31.323177 where: bonds (distance) C4'-P energy: -8.896 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -44.938078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.938078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.938078 (E_RNA) where: Base-Base interactions energy: -17.775 where: short stacking energy: -16.318 Base-Backbone interact. energy: -0.003 local terms energy: -27.159289 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -2.198 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: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -52.238198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.238198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.238198 (E_RNA) where: Base-Base interactions energy: -19.003 where: short stacking energy: -7.791 Base-Backbone interact. energy: 0.019 local terms energy: -33.254313 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -45.256995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.256995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.256995 (E_RNA) where: Base-Base interactions energy: -20.822 where: short stacking energy: -7.087 Base-Backbone interact. energy: -0.650 local terms energy: -23.785453 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: 0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -46.993095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.993095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.993095 (E_RNA) where: Base-Base interactions energy: -21.863 where: short stacking energy: -10.276 Base-Backbone interact. energy: -0.137 local terms energy: -24.993568 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -72.813342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.813342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.813342 (E_RNA) where: Base-Base interactions energy: -37.745 where: short stacking energy: -26.304 Base-Backbone interact. energy: -0.000 local terms energy: -35.068344 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -7.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -55.224453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.224453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.224453 (E_RNA) where: Base-Base interactions energy: -27.367 where: short stacking energy: -18.805 Base-Backbone interact. energy: -0.089 local terms energy: -27.768597 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -56.933657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.933657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.933657 (E_RNA) where: Base-Base interactions energy: -22.181 where: short stacking energy: -22.181 Base-Backbone interact. energy: -0.003 local terms energy: -34.749485 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -5.787 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: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -55.688756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.688756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.688756 (E_RNA) where: Base-Base interactions energy: -30.050 where: short stacking energy: -20.249 Base-Backbone interact. energy: 0.577 local terms energy: -26.215460 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -4.234 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -3.976 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: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -54.433969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.433969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.433969 (E_RNA) where: Base-Base interactions energy: -22.869 where: short stacking energy: -14.516 Base-Backbone interact. energy: -0.015 local terms energy: -31.550010 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.633 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -49.063904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.063904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.063904 (E_RNA) where: Base-Base interactions energy: -16.196 where: short stacking energy: -16.196 Base-Backbone interact. energy: -0.074 local terms energy: -32.793924 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -4.268 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: 7, replica: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -48.709710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.709710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.709710 (E_RNA) where: Base-Base interactions energy: -14.921 where: short stacking energy: -14.921 Base-Backbone interact. energy: -0.000 local terms energy: -33.788885 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -42.434437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.434437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.434437 (E_RNA) where: Base-Base interactions energy: -16.911 where: short stacking energy: -16.911 Base-Backbone interact. energy: -0.264 local terms energy: -25.259837 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -40.620281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.620281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.620281 (E_RNA) where: Base-Base interactions energy: -16.517 where: short stacking energy: -16.517 Base-Backbone interact. energy: -0.179 local terms energy: -23.924292 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: 0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -43.110249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.110249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.110249 (E_RNA) where: Base-Base interactions energy: -16.163 where: short stacking energy: -11.375 Base-Backbone interact. energy: -0.192 local terms energy: -26.754815 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -5.546 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -68.615453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.615453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.615453 (E_RNA) where: Base-Base interactions energy: -31.480 where: short stacking energy: -31.480 Base-Backbone interact. energy: -0.005 local terms energy: -37.130095 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -5.738 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: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -57.454937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.454937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.454937 (E_RNA) where: Base-Base interactions energy: -25.250 where: short stacking energy: -24.766 Base-Backbone interact. energy: -0.001 local terms energy: -32.203359 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -61.820513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.820513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.820513 (E_RNA) where: Base-Base interactions energy: -33.963 where: short stacking energy: -21.302 Base-Backbone interact. energy: -0.017 local terms energy: -27.839595 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -4.805 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -59.603302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.603302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.603302 (E_RNA) where: Base-Base interactions energy: -26.175 where: short stacking energy: -26.175 Base-Backbone interact. energy: -0.000 local terms energy: -33.427825 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -8.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -52.767918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.767918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.767918 (E_RNA) where: Base-Base interactions energy: -23.111 where: short stacking energy: -22.803 Base-Backbone interact. energy: 0.044 local terms energy: -29.700723 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -4.459 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: 6, replica: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -44.707116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.707116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.707116 (E_RNA) where: Base-Base interactions energy: -17.137 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.096 local terms energy: -27.473768 where: bonds (distance) C4'-P energy: -4.583 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -3.025 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: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -53.820411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.820411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.820411 (E_RNA) where: Base-Base interactions energy: -22.508 where: short stacking energy: -22.508 Base-Backbone interact. energy: -0.002 local terms energy: -31.310412 where: bonds (distance) C4'-P energy: -3.687 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -7.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -49.846939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.846939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.846939 (E_RNA) where: Base-Base interactions energy: -23.849 where: short stacking energy: -22.914 Base-Backbone interact. energy: -0.001 local terms energy: -25.997210 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: 0.253 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -45.048031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.048031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.048031 (E_RNA) where: Base-Base interactions energy: -16.690 where: short stacking energy: -13.530 Base-Backbone interact. energy: -0.011 local terms energy: -28.347458 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -3.777 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: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -41.838140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.838140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.838140 (E_RNA) where: Base-Base interactions energy: -20.346 where: short stacking energy: -20.346 Base-Backbone interact. energy: -0.037 local terms energy: -21.455309 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.343 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: 1, replica: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -66.525693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.525693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.525693 (E_RNA) where: Base-Base interactions energy: -27.462 where: short stacking energy: -27.462 Base-Backbone interact. energy: -0.000 local terms energy: -39.063604 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -5.485 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: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -58.463517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.463517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.463517 (E_RNA) where: Base-Base interactions energy: -24.426 where: short stacking energy: -24.426 Base-Backbone interact. energy: -0.000 local terms energy: -34.037029 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -8.266 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: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -61.076027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.076027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.076027 (E_RNA) where: Base-Base interactions energy: -26.297 where: short stacking energy: -22.194 Base-Backbone interact. energy: -0.000 local terms energy: -34.778418 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -6.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -52.587054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.587054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.587054 (E_RNA) where: Base-Base interactions energy: -19.998 where: short stacking energy: -15.814 Base-Backbone interact. energy: -0.079 local terms energy: -32.509850 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -54.391938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.391938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.391938 (E_RNA) where: Base-Base interactions energy: -20.979 where: short stacking energy: -20.979 Base-Backbone interact. energy: -0.000 local terms energy: -33.412741 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -5.641 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: 6, replica: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -45.768401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.768401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.768401 (E_RNA) where: Base-Base interactions energy: -17.262 where: short stacking energy: -17.017 Base-Backbone interact. energy: -0.027 local terms energy: -28.479058 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -53.962140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.962140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.962140 (E_RNA) where: Base-Base interactions energy: -20.182 where: short stacking energy: -20.182 Base-Backbone interact. energy: -0.009 local terms energy: -33.771103 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -6.980 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: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -48.264277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.264277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.264277 (E_RNA) where: Base-Base interactions energy: -24.404 where: short stacking energy: -19.547 Base-Backbone interact. energy: -0.001 local terms energy: -23.858958 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -0.510 flat angles P-C4'-P energy: -5.331 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: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -42.559372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.559372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.559372 (E_RNA) where: Base-Base interactions energy: -18.603 where: short stacking energy: -18.603 Base-Backbone interact. energy: -0.070 local terms energy: -23.886369 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.611 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -45.588720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.588720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.588720 (E_RNA) where: Base-Base interactions energy: -11.817 where: short stacking energy: -11.817 Base-Backbone interact. energy: -0.065 local terms energy: -33.707054 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -63.089614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.089614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.089614 (E_RNA) where: Base-Base interactions energy: -24.500 where: short stacking energy: -20.458 Base-Backbone interact. energy: -0.001 local terms energy: -38.588932 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -7.070 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: 295 Temperature: 0.950000 Total energy: -69.052195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.052195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.052195 (E_RNA) where: Base-Base interactions energy: -32.575 where: short stacking energy: -25.783 Base-Backbone interact. energy: -0.001 local terms energy: -36.476170 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -7.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -64.354568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.354568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.354568 (E_RNA) where: Base-Base interactions energy: -25.759 where: short stacking energy: -25.759 Base-Backbone interact. energy: -0.000 local terms energy: -38.595148 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -7.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -55.626701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.626701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.626701 (E_RNA) where: Base-Base interactions energy: -22.091 where: short stacking energy: -22.091 Base-Backbone interact. energy: -0.168 local terms energy: -33.367671 where: bonds (distance) C4'-P energy: -5.174 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -6.665 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: 5, replica: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -52.163480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.163480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.163480 (E_RNA) where: Base-Base interactions energy: -18.353 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.013 local terms energy: -33.797031 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -6.320 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: 6, replica: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -51.548947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.548947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.548947 (E_RNA) where: Base-Base interactions energy: -21.686 where: short stacking energy: -21.686 Base-Backbone interact. energy: -0.030 local terms energy: -29.832947 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -46.645968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.645968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.645968 (E_RNA) where: Base-Base interactions energy: -17.942 where: short stacking energy: -17.937 Base-Backbone interact. energy: 0.006 local terms energy: -28.710625 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -6.258 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: 8, replica: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -45.658915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.658915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.658915 (E_RNA) where: Base-Base interactions energy: -16.947 where: short stacking energy: -16.947 Base-Backbone interact. energy: -0.001 local terms energy: -28.711323 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -3.205 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: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -41.661819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.661819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.661819 (E_RNA) where: Base-Base interactions energy: -13.640 where: short stacking energy: -12.943 Base-Backbone interact. energy: -0.026 local terms energy: -27.996075 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -44.004655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.004655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.004655 (E_RNA) where: Base-Base interactions energy: -17.773 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.069 local terms energy: -26.162578 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -68.104194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.104194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.104194 (E_RNA) where: Base-Base interactions energy: -27.151 where: short stacking energy: -27.151 Base-Backbone interact. energy: -0.000 local terms energy: -40.953611 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -9.499 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -9.004 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: 2, replica: 9 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -71.550310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.550310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.550310 (E_RNA) where: Base-Base interactions energy: -32.036 where: short stacking energy: -32.036 Base-Backbone interact. energy: -0.000 local terms energy: -39.514313 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -8.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -58.255060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.255060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.255060 (E_RNA) where: Base-Base interactions energy: -31.535 where: short stacking energy: -20.849 Base-Backbone interact. energy: -0.007 local terms energy: -26.712382 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -0.497 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -67.686539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.686539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.686539 (E_RNA) where: Base-Base interactions energy: -33.919 where: short stacking energy: -21.604 Base-Backbone interact. energy: -0.096 local terms energy: -33.671733 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -54.926525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.926525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.926525 (E_RNA) where: Base-Base interactions energy: -21.421 where: short stacking energy: -21.421 Base-Backbone interact. energy: 0.622 local terms energy: -34.127359 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.662 flat angles P-C4'-P energy: -7.674 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: 6, replica: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -43.058410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.058410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.058410 (E_RNA) where: Base-Base interactions energy: -20.736 where: short stacking energy: -8.386 Base-Backbone interact. energy: -0.129 local terms energy: -22.193672 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: 1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -55.564962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.564962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.564962 (E_RNA) where: Base-Base interactions energy: -25.441 where: short stacking energy: -25.441 Base-Backbone interact. energy: -0.000 local terms energy: -30.124368 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -5.352 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -4.314 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: 8, replica: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -49.271011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.271011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.271011 (E_RNA) where: Base-Base interactions energy: -15.828 where: short stacking energy: -15.828 Base-Backbone interact. energy: -0.046 local terms energy: -33.397077 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -44.623606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.623606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.623606 (E_RNA) where: Base-Base interactions energy: -16.015 where: short stacking energy: -15.121 Base-Backbone interact. energy: -0.035 local terms energy: -28.573751 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -2.209 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: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -39.014711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.014711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.014711 (E_RNA) where: Base-Base interactions energy: -13.554 where: short stacking energy: -13.554 Base-Backbone interact. energy: -0.003 local terms energy: -25.457552 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -2.736 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: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -66.379361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.379361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.379361 (E_RNA) where: Base-Base interactions energy: -29.523 where: short stacking energy: -25.110 Base-Backbone interact. energy: -0.000 local terms energy: -36.855746 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -4.611 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: 9 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -62.939709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.939709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.939709 (E_RNA) where: Base-Base interactions energy: -29.634 where: short stacking energy: -29.634 Base-Backbone interact. energy: -0.000 local terms energy: -33.305482 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -10.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -54.205846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.205846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.205846 (E_RNA) where: Base-Base interactions energy: -23.312 where: short stacking energy: -23.312 Base-Backbone interact. energy: -0.044 local terms energy: -30.849593 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -58.326576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.326576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.326576 (E_RNA) where: Base-Base interactions energy: -25.397 where: short stacking energy: -25.397 Base-Backbone interact. energy: -0.075 local terms energy: -32.854506 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.755 flat angles P-C4'-P energy: -4.970 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: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -68.512150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.512150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.512150 (E_RNA) where: Base-Base interactions energy: -37.726 where: short stacking energy: -23.521 Base-Backbone interact. energy: -0.006 local terms energy: -30.780615 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -54.490858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.490858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.490858 (E_RNA) where: Base-Base interactions energy: -21.642 where: short stacking energy: -23.266 Base-Backbone interact. energy: -1.120 local terms energy: -31.729082 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -3.908 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: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -53.266470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.266470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.266470 (E_RNA) where: Base-Base interactions energy: -20.527 where: short stacking energy: -15.010 Base-Backbone interact. energy: -0.003 local terms energy: -32.737004 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -6.019 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: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -45.821573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.821573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.821573 (E_RNA) where: Base-Base interactions energy: -17.015 where: short stacking energy: -16.756 Base-Backbone interact. energy: -0.182 local terms energy: -28.623977 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -43.182693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.182693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.182693 (E_RNA) where: Base-Base interactions energy: -16.039 where: short stacking energy: -16.039 Base-Backbone interact. energy: -0.002 local terms energy: -27.141841 where: bonds (distance) C4'-P energy: -3.672 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -44.092844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.092844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.092844 (E_RNA) where: Base-Base interactions energy: -15.138 where: short stacking energy: -15.138 Base-Backbone interact. energy: -0.078 local terms energy: -28.876152 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -5.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -79.600824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.600824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.600824 (E_RNA) where: Base-Base interactions energy: -41.400 where: short stacking energy: -22.526 Base-Backbone interact. energy: -0.000 local terms energy: -38.200679 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -7.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -55.757133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.757133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.757133 (E_RNA) where: Base-Base interactions energy: -25.548 where: short stacking energy: -25.548 Base-Backbone interact. energy: -0.000 local terms energy: -30.208696 where: bonds (distance) C4'-P energy: -2.305 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -6.390 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: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -55.276314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.276314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.276314 (E_RNA) where: Base-Base interactions energy: -19.594 where: short stacking energy: -19.594 Base-Backbone interact. energy: -0.013 local terms energy: -35.669557 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -4.506 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: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -59.692752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.692752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.692752 (E_RNA) where: Base-Base interactions energy: -21.566 where: short stacking energy: -21.566 Base-Backbone interact. energy: -0.011 local terms energy: -38.115981 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -51.230630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.230630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.230630 (E_RNA) where: Base-Base interactions energy: -20.357 where: short stacking energy: -14.543 Base-Backbone interact. energy: -0.011 local terms energy: -30.862830 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -55.549326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.549326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.549326 (E_RNA) where: Base-Base interactions energy: -21.756 where: short stacking energy: -21.576 Base-Backbone interact. energy: -0.000 local terms energy: -33.792632 where: bonds (distance) C4'-P energy: -7.819 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -55.708377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.708377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.708377 (E_RNA) where: Base-Base interactions energy: -23.272 where: short stacking energy: -23.272 Base-Backbone interact. energy: -0.001 local terms energy: -32.436014 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -6.140 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: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -47.811544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.811544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.811544 (E_RNA) where: Base-Base interactions energy: -14.849 where: short stacking energy: -14.849 Base-Backbone interact. energy: -0.000 local terms energy: -32.962354 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -5.284 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: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -43.918404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.918404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.918404 (E_RNA) where: Base-Base interactions energy: -12.170 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.000 local terms energy: -31.748028 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -47.786373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.786373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.786373 (E_RNA) where: Base-Base interactions energy: -19.717 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.087 local terms energy: -27.983135 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: 0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -65.806542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.806542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.806542 (E_RNA) where: Base-Base interactions energy: -29.066 where: short stacking energy: -29.066 Base-Backbone interact. energy: -0.000 local terms energy: -36.740827 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -7.058 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: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -60.381539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.381539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.381539 (E_RNA) where: Base-Base interactions energy: -26.242 where: short stacking energy: -26.242 Base-Backbone interact. energy: -0.030 local terms energy: -34.108725 where: bonds (distance) C4'-P energy: -6.756 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -59.342196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.342196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.342196 (E_RNA) where: Base-Base interactions energy: -25.270 where: short stacking energy: -25.270 Base-Backbone interact. energy: -0.000 local terms energy: -34.071872 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -61.649988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.649988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.649988 (E_RNA) where: Base-Base interactions energy: -29.476 where: short stacking energy: -22.260 Base-Backbone interact. energy: -0.000 local terms energy: -32.173348 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -52.228796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.228796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.228796 (E_RNA) where: Base-Base interactions energy: -16.407 where: short stacking energy: -16.407 Base-Backbone interact. energy: -0.352 local terms energy: -35.469534 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -47.554474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.554474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.554474 (E_RNA) where: Base-Base interactions energy: -17.345 where: short stacking energy: -17.345 Base-Backbone interact. energy: -0.000 local terms energy: -30.209187 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -49.365529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.365529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.365529 (E_RNA) where: Base-Base interactions energy: -18.789 where: short stacking energy: -16.327 Base-Backbone interact. energy: -0.693 local terms energy: -29.882957 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -47.328029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.328029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.328029 (E_RNA) where: Base-Base interactions energy: -17.042 where: short stacking energy: -17.042 Base-Backbone interact. energy: -0.000 local terms energy: -30.285222 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -6.507 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: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -43.643048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.643048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.643048 (E_RNA) where: Base-Base interactions energy: -12.779 where: short stacking energy: -11.151 Base-Backbone interact. energy: -0.000 local terms energy: -30.863747 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -4.091 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: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -36.767647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.767647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.767647 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -11.463 Base-Backbone interact. energy: -0.230 local terms energy: -24.019562 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -1.558 flat angles P-C4'-P energy: -6.263 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: 1, replica: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -65.353936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.353936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.353936 (E_RNA) where: Base-Base interactions energy: -34.442 where: short stacking energy: -24.719 Base-Backbone interact. energy: -0.084 local terms energy: -30.828215 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -3.986 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: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -61.833873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.833873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.833873 (E_RNA) where: Base-Base interactions energy: -23.893 where: short stacking energy: -23.893 Base-Backbone interact. energy: -0.000 local terms energy: -37.940488 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -7.585 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: 3, replica: 8 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -77.358539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.358539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.358539 (E_RNA) where: Base-Base interactions energy: -39.361 where: short stacking energy: -24.277 Base-Backbone interact. energy: -0.010 local terms energy: -37.987333 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.805 flat angles P-C4'-P energy: -6.829 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: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -53.093712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.093712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.093712 (E_RNA) where: Base-Base interactions energy: -18.416 where: short stacking energy: -18.416 Base-Backbone interact. energy: -0.000 local terms energy: -34.677597 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.088 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: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -54.371515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.371515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.371515 (E_RNA) where: Base-Base interactions energy: -23.362 where: short stacking energy: -18.172 Base-Backbone interact. energy: -0.003 local terms energy: -31.007107 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -51.659910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.659910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.659910 (E_RNA) where: Base-Base interactions energy: -19.447 where: short stacking energy: -19.447 Base-Backbone interact. energy: -0.001 local terms energy: -32.212727 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -57.559579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.559579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.559579 (E_RNA) where: Base-Base interactions energy: -25.483 where: short stacking energy: -25.483 Base-Backbone interact. energy: -0.007 local terms energy: -32.069376 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -4.820 flat angles C4'-P-C4' energy: -8.879 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -6.572 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: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -51.050189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.050189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.050189 (E_RNA) where: Base-Base interactions energy: -20.947 where: short stacking energy: -20.947 Base-Backbone interact. energy: -0.056 local terms energy: -30.047712 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -6.250 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -40.993625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.993625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.993625 (E_RNA) where: Base-Base interactions energy: -18.190 where: short stacking energy: -18.190 Base-Backbone interact. energy: -0.003 local terms energy: -22.800635 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -5.196 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -0.621 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -36.713318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.713318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.713318 (E_RNA) where: Base-Base interactions energy: -11.841 where: short stacking energy: -11.841 Base-Backbone interact. energy: -0.117 local terms energy: -24.754810 where: bonds (distance) C4'-P energy: -4.855 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -61.464718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.464718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.464718 (E_RNA) where: Base-Base interactions energy: -23.012 where: short stacking energy: -23.012 Base-Backbone interact. energy: -0.001 local terms energy: -38.451668 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -7.280 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: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -68.126235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.126235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.126235 (E_RNA) where: Base-Base interactions energy: -38.376 where: short stacking energy: -19.524 Base-Backbone interact. energy: -0.096 local terms energy: -29.653742 where: bonds (distance) C4'-P energy: -5.039 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -6.548 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: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -59.784928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.784928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.784928 (E_RNA) where: Base-Base interactions energy: -23.157 where: short stacking energy: -23.157 Base-Backbone interact. energy: -0.000 local terms energy: -36.627814 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -7.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -62.862886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.862886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.862886 (E_RNA) where: Base-Base interactions energy: -26.327 where: short stacking energy: -26.327 Base-Backbone interact. energy: -0.000 local terms energy: -36.536172 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -8.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -56.426574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.426574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.426574 (E_RNA) where: Base-Base interactions energy: -25.619 where: short stacking energy: -21.481 Base-Backbone interact. energy: -0.077 local terms energy: -30.730309 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -6.060 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: 6, replica: 10 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -61.615420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.615420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.615420 (E_RNA) where: Base-Base interactions energy: -29.673 where: short stacking energy: -18.407 Base-Backbone interact. energy: -0.195 local terms energy: -31.747266 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -9.507 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -52.223907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.223907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.223907 (E_RNA) where: Base-Base interactions energy: -23.117 where: short stacking energy: -21.862 Base-Backbone interact. energy: -0.802 local terms energy: -28.305272 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -5.023 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: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -56.453554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.453554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.453554 (E_RNA) where: Base-Base interactions energy: -26.642 where: short stacking energy: -22.633 Base-Backbone interact. energy: -0.002 local terms energy: -29.809059 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -55.741155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.741155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.741155 (E_RNA) where: Base-Base interactions energy: -20.784 where: short stacking energy: -20.784 Base-Backbone interact. energy: -0.041 local terms energy: -34.916493 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -37.962079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.962079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.962079 (E_RNA) where: Base-Base interactions energy: -8.017 where: short stacking energy: -8.017 Base-Backbone interact. energy: -0.004 local terms energy: -29.941266 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -67.219577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.219577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.219577 (E_RNA) where: Base-Base interactions energy: -30.055 where: short stacking energy: -30.055 Base-Backbone interact. energy: -0.067 local terms energy: -37.096771 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -5.984 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: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -57.606123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.606123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.606123 (E_RNA) where: Base-Base interactions energy: -22.723 where: short stacking energy: -22.723 Base-Backbone interact. energy: -0.047 local terms energy: -34.836160 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -4.316 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: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -60.736030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.736030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.736030 (E_RNA) where: Base-Base interactions energy: -23.624 where: short stacking energy: -23.624 Base-Backbone interact. energy: -0.013 local terms energy: -37.099002 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -7.333 tors. eta vs tors. theta energy: -5.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -65.428742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.428742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.428742 (E_RNA) where: Base-Base interactions energy: -36.688 where: short stacking energy: -26.073 Base-Backbone interact. energy: -0.043 local terms energy: -28.697529 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -5.386 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: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -56.490526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.490526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.490526 (E_RNA) where: Base-Base interactions energy: -22.861 where: short stacking energy: -22.092 Base-Backbone interact. energy: -0.000 local terms energy: -33.629362 where: bonds (distance) C4'-P energy: -3.075 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -6.744 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: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -50.205431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.205431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.205431 (E_RNA) where: Base-Base interactions energy: -23.195 where: short stacking energy: -22.952 Base-Backbone interact. energy: -0.002 local terms energy: -27.008906 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -3.744 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -4.445 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: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -53.471610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.471610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.471610 (E_RNA) where: Base-Base interactions energy: -21.332 where: short stacking energy: -21.332 Base-Backbone interact. energy: -0.007 local terms energy: -32.132041 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -4.100 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: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -39.954990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.954990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.954990 (E_RNA) where: Base-Base interactions energy: -12.683 where: short stacking energy: -9.040 Base-Backbone interact. energy: -0.093 local terms energy: -27.178522 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.848 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: 9, replica: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -41.312069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.312069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.312069 (E_RNA) where: Base-Base interactions energy: -13.896 where: short stacking energy: -13.459 Base-Backbone interact. energy: -0.015 local terms energy: -27.400346 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -46.351245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.351245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.351245 (E_RNA) where: Base-Base interactions energy: -16.218 where: short stacking energy: -16.218 Base-Backbone interact. energy: -0.110 local terms energy: -30.023982 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -5.760 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: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -68.738503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.738503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.738503 (E_RNA) where: Base-Base interactions energy: -30.356 where: short stacking energy: -30.356 Base-Backbone interact. energy: -0.000 local terms energy: -38.382031 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -8.613 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: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -66.803143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.803143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.803143 (E_RNA) where: Base-Base interactions energy: -30.710 where: short stacking energy: -30.710 Base-Backbone interact. energy: -0.000 local terms energy: -36.092945 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -8.979 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: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -53.880181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.880181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.880181 (E_RNA) where: Base-Base interactions energy: -24.496 where: short stacking energy: -24.496 Base-Backbone interact. energy: -0.003 local terms energy: -29.381262 where: bonds (distance) C4'-P energy: -5.453 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -6.723 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: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -72.700087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.700087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.700087 (E_RNA) where: Base-Base interactions energy: -41.615 where: short stacking energy: -24.115 Base-Backbone interact. energy: -0.000 local terms energy: -31.084615 where: bonds (distance) C4'-P energy: -4.943 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -5.809 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -52.996965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.996965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.996965 (E_RNA) where: Base-Base interactions energy: -22.741 where: short stacking energy: -21.040 Base-Backbone interact. energy: -0.003 local terms energy: -30.252864 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -6.785 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: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -56.644370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.644370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.644370 (E_RNA) where: Base-Base interactions energy: -24.807 where: short stacking energy: -24.807 Base-Backbone interact. energy: -0.000 local terms energy: -31.837687 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -5.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -48.654917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.654917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.654917 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -17.596 Base-Backbone interact. energy: -0.008 local terms energy: -31.051308 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.070 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -3.503 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: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -45.902951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.902951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.902951 (E_RNA) where: Base-Base interactions energy: -15.657 where: short stacking energy: -15.605 Base-Backbone interact. energy: -0.563 local terms energy: -29.683387 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -3.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -42.346711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.346711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.346711 (E_RNA) where: Base-Base interactions energy: -15.174 where: short stacking energy: -13.955 Base-Backbone interact. energy: -0.017 local terms energy: -27.155468 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -4.781 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: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -43.434527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.434527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.434527 (E_RNA) where: Base-Base interactions energy: -19.574 where: short stacking energy: -10.093 Base-Backbone interact. energy: -0.097 local terms energy: -23.763358 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -3.558 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -60.673608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.673608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.673608 (E_RNA) where: Base-Base interactions energy: -26.535 where: short stacking energy: -22.007 Base-Backbone interact. energy: -0.001 local terms energy: -34.138428 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -4.873 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: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -65.180936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.180936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.180936 (E_RNA) where: Base-Base interactions energy: -27.954 where: short stacking energy: -27.954 Base-Backbone interact. energy: -0.000 local terms energy: -37.226705 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -6.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -65.365449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.365449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.365449 (E_RNA) where: Base-Base interactions energy: -33.194 where: short stacking energy: -13.656 Base-Backbone interact. energy: -0.100 local terms energy: -32.071167 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -4.062 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: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -50.301142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.301142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.301142 (E_RNA) where: Base-Base interactions energy: -18.971 where: short stacking energy: -18.971 Base-Backbone interact. energy: -0.234 local terms energy: -31.096351 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -50.284734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.284734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.284734 (E_RNA) where: Base-Base interactions energy: -19.941 where: short stacking energy: -19.941 Base-Backbone interact. energy: -0.000 local terms energy: -30.343544 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -3.695 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: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -56.098141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.098141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.098141 (E_RNA) where: Base-Base interactions energy: -29.586 where: short stacking energy: -23.973 Base-Backbone interact. energy: -0.000 local terms energy: -26.511930 where: bonds (distance) C4'-P energy: -5.212 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: -5.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -49.566328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.566328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.566328 (E_RNA) where: Base-Base interactions energy: -15.924 where: short stacking energy: -15.276 Base-Backbone interact. energy: -0.039 local terms energy: -33.604142 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -5.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -50.780333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.780333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.780333 (E_RNA) where: Base-Base interactions energy: -21.341 where: short stacking energy: -21.341 Base-Backbone interact. energy: -0.002 local terms energy: -29.437354 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -40.309956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.309956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.309956 (E_RNA) where: Base-Base interactions energy: -13.821 where: short stacking energy: -13.163 Base-Backbone interact. energy: -0.028 local terms energy: -26.460708 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -39.273525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.273525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.273525 (E_RNA) where: Base-Base interactions energy: -10.968 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.006 local terms energy: -28.298923 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -67.321133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.321133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.321133 (E_RNA) where: Base-Base interactions energy: -32.034 where: short stacking energy: -24.610 Base-Backbone interact. energy: -0.000 local terms energy: -35.286754 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -63.534044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.534044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.534044 (E_RNA) where: Base-Base interactions energy: -27.573 where: short stacking energy: -27.573 Base-Backbone interact. energy: -0.016 local terms energy: -35.944844 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -7.279 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: 3, replica: 9 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -62.503984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.503984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.503984 (E_RNA) where: Base-Base interactions energy: -26.532 where: short stacking energy: -26.532 Base-Backbone interact. energy: -0.000 local terms energy: -35.972060 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.884 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -6.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -51.494862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.494862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.494862 (E_RNA) where: Base-Base interactions energy: -18.235 where: short stacking energy: -13.558 Base-Backbone interact. energy: -0.005 local terms energy: -33.254809 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -7.364 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: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -60.659772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.659772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.659772 (E_RNA) where: Base-Base interactions energy: -25.225 where: short stacking energy: -25.225 Base-Backbone interact. energy: -0.000 local terms energy: -35.434426 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.808 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -7.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -59.914995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.914995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.914995 (E_RNA) where: Base-Base interactions energy: -23.356 where: short stacking energy: -23.356 Base-Backbone interact. energy: -0.000 local terms energy: -36.558697 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -7.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -46.458151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.458151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.458151 (E_RNA) where: Base-Base interactions energy: -18.683 where: short stacking energy: -18.683 Base-Backbone interact. energy: -0.000 local terms energy: -27.774592 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -46.443319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.443319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.443319 (E_RNA) where: Base-Base interactions energy: -21.434 where: short stacking energy: -13.398 Base-Backbone interact. energy: -0.112 local terms energy: -24.897403 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.206 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -1.741 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: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -43.113679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.113679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.113679 (E_RNA) where: Base-Base interactions energy: -17.884 where: short stacking energy: -14.138 Base-Backbone interact. energy: -0.007 local terms energy: -25.223373 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -1.606 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: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -38.537397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.537397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.537397 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -13.202 Base-Backbone interact. energy: -0.000 local terms energy: -25.063320 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -4.980 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -69.836755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.836755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.836755 (E_RNA) where: Base-Base interactions energy: -28.863 where: short stacking energy: -28.863 Base-Backbone interact. energy: -0.000 local terms energy: -40.973157 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -8.223 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -10.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -62.626273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.626273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.626273 (E_RNA) where: Base-Base interactions energy: -25.503 where: short stacking energy: -25.503 Base-Backbone interact. energy: -0.000 local terms energy: -37.123023 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -10.078 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: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -57.172160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.172160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.172160 (E_RNA) where: Base-Base interactions energy: -23.720 where: short stacking energy: -23.720 Base-Backbone interact. energy: -0.002 local terms energy: -33.449836 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -54.066112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.066112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.066112 (E_RNA) where: Base-Base interactions energy: -23.005 where: short stacking energy: -23.005 Base-Backbone interact. energy: 0.863 local terms energy: -31.923876 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -53.652611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.652611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.652611 (E_RNA) where: Base-Base interactions energy: -22.910 where: short stacking energy: -22.910 Base-Backbone interact. energy: -0.092 local terms energy: -30.651540 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -54.976330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.976330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.976330 (E_RNA) where: Base-Base interactions energy: -20.158 where: short stacking energy: -19.599 Base-Backbone interact. energy: -0.074 local terms energy: -34.743801 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -6.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -47.095289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.095289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.095289 (E_RNA) where: Base-Base interactions energy: -18.806 where: short stacking energy: -16.336 Base-Backbone interact. energy: -0.050 local terms energy: -28.239970 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -46.714374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.714374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.714374 (E_RNA) where: Base-Base interactions energy: -14.330 where: short stacking energy: -14.330 Base-Backbone interact. energy: 0.112 local terms energy: -32.495539 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -7.133 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -43.303936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.303936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.303936 (E_RNA) where: Base-Base interactions energy: -13.857 where: short stacking energy: -13.857 Base-Backbone interact. energy: -0.000 local terms energy: -29.446765 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -4.918 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: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -44.080010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.080010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.080010 (E_RNA) where: Base-Base interactions energy: -22.628 where: short stacking energy: -22.130 Base-Backbone interact. energy: -0.009 local terms energy: -21.442545 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -7.015 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: 3.487 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: 1, replica: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -67.158424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.158424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.158424 (E_RNA) where: Base-Base interactions energy: -30.669 where: short stacking energy: -29.920 Base-Backbone interact. energy: -0.000 local terms energy: -36.489046 where: bonds (distance) C4'-P energy: -6.987 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -6.971 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: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -70.638716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.638716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.638716 (E_RNA) where: Base-Base interactions energy: -33.146 where: short stacking energy: -33.146 Base-Backbone interact. energy: -0.001 local terms energy: -37.492456 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -10.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -51.964924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.964924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.964924 (E_RNA) where: Base-Base interactions energy: -19.590 where: short stacking energy: -18.279 Base-Backbone interact. energy: -0.038 local terms energy: -32.337283 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -56.796888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.796888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.796888 (E_RNA) where: Base-Base interactions energy: -23.398 where: short stacking energy: -23.398 Base-Backbone interact. energy: -0.000 local terms energy: -33.398336 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -6.368 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: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -60.715182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.715182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.715182 (E_RNA) where: Base-Base interactions energy: -29.641 where: short stacking energy: -17.103 Base-Backbone interact. energy: -0.054 local terms energy: -31.020235 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -55.017408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.017408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.017408 (E_RNA) where: Base-Base interactions energy: -28.010 where: short stacking energy: -18.449 Base-Backbone interact. energy: -0.139 local terms energy: -26.867741 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -4.970 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: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -42.775862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.775862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.775862 (E_RNA) where: Base-Base interactions energy: -12.338 where: short stacking energy: -12.273 Base-Backbone interact. energy: -0.002 local terms energy: -30.435560 where: bonds (distance) C4'-P energy: -6.205 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -43.878689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.878689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.878689 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.016 local terms energy: -31.139017 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -37.736867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.736867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.736867 (E_RNA) where: Base-Base interactions energy: -19.132 where: short stacking energy: -8.558 Base-Backbone interact. energy: 1.506 local terms energy: -20.111029 where: bonds (distance) C4'-P energy: -5.726 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: 0.491 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: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -49.145296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.145296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.145296 (E_RNA) where: Base-Base interactions energy: -16.134 where: short stacking energy: -16.134 Base-Backbone interact. energy: 0.601 local terms energy: -33.611924 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -82.454740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.454740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.454740 (E_RNA) where: Base-Base interactions energy: -45.999 where: short stacking energy: -31.133 Base-Backbone interact. energy: -0.001 local terms energy: -36.455474 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -7.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -62.131446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.131446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.131446 (E_RNA) where: Base-Base interactions energy: -26.262 where: short stacking energy: -26.262 Base-Backbone interact. energy: -0.008 local terms energy: -35.861338 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -5.746 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: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -51.800035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.800035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.800035 (E_RNA) where: Base-Base interactions energy: -22.355 where: short stacking energy: -14.961 Base-Backbone interact. energy: -0.000 local terms energy: -29.445281 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.930 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -52.572514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.572514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.572514 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -21.446 Base-Backbone interact. energy: -0.015 local terms energy: -31.111858 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -53.848363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.848363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.848363 (E_RNA) where: Base-Base interactions energy: -24.280 where: short stacking energy: -13.560 Base-Backbone interact. energy: -0.092 local terms energy: -29.477112 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -3.953 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: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -53.270043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.270043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.270043 (E_RNA) where: Base-Base interactions energy: -23.200 where: short stacking energy: -23.200 Base-Backbone interact. energy: -0.002 local terms energy: -30.068202 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -41.756839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.756839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.756839 (E_RNA) where: Base-Base interactions energy: -17.405 where: short stacking energy: -17.405 Base-Backbone interact. energy: -0.073 local terms energy: -24.278981 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -52.839883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.839883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.839883 (E_RNA) where: Base-Base interactions energy: -23.503 where: short stacking energy: -23.418 Base-Backbone interact. energy: -0.000 local terms energy: -29.336634 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.448 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -43.413790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.413790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.413790 (E_RNA) where: Base-Base interactions energy: -13.143 where: short stacking energy: -13.143 Base-Backbone interact. energy: -0.008 local terms energy: -30.262650 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -46.673621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.673621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.673621 (E_RNA) where: Base-Base interactions energy: -16.233 where: short stacking energy: -16.233 Base-Backbone interact. energy: -0.000 local terms energy: -30.440632 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -5.762 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -78.190747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.190747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.190747 (E_RNA) where: Base-Base interactions energy: -41.101 where: short stacking energy: -34.232 Base-Backbone interact. energy: -0.000 local terms energy: -37.089529 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -9.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -70.796000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.796000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.796000 (E_RNA) where: Base-Base interactions energy: -38.234 where: short stacking energy: -21.602 Base-Backbone interact. energy: -0.001 local terms energy: -32.560928 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -7.010 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: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -58.212025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.212025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.212025 (E_RNA) where: Base-Base interactions energy: -26.024 where: short stacking energy: -26.024 Base-Backbone interact. energy: -0.000 local terms energy: -32.187828 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -52.789340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.789340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.789340 (E_RNA) where: Base-Base interactions energy: -25.096 where: short stacking energy: -17.642 Base-Backbone interact. energy: -0.003 local terms energy: -27.690519 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.558 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -59.371280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.371280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.371280 (E_RNA) where: Base-Base interactions energy: -28.058 where: short stacking energy: -17.361 Base-Backbone interact. energy: -0.030 local terms energy: -31.284066 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -56.277533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.277533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.277533 (E_RNA) where: Base-Base interactions energy: -26.119 where: short stacking energy: -26.119 Base-Backbone interact. energy: -0.000 local terms energy: -30.158089 where: bonds (distance) C4'-P energy: -7.451 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -44.999820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.999820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.999820 (E_RNA) where: Base-Base interactions energy: -18.736 where: short stacking energy: -14.058 Base-Backbone interact. energy: -0.006 local terms energy: -26.257667 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.017 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -2.310 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: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -46.646963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.646963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.646963 (E_RNA) where: Base-Base interactions energy: -18.459 where: short stacking energy: -18.459 Base-Backbone interact. energy: -0.003 local terms energy: -28.185448 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -42.462216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.462216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.462216 (E_RNA) where: Base-Base interactions energy: -17.555 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.001 local terms energy: -24.906336 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -3.502 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: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -43.589679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.589679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.589679 (E_RNA) where: Base-Base interactions energy: -19.567 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.250 local terms energy: -23.771999 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -4.468 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -83.726987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.726987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.726987 (E_RNA) where: Base-Base interactions energy: -52.489 where: short stacking energy: -28.835 Base-Backbone interact. energy: -0.008 local terms energy: -31.230638 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -70.695719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.695719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.695719 (E_RNA) where: Base-Base interactions energy: -30.520 where: short stacking energy: -30.520 Base-Backbone interact. energy: -0.000 local terms energy: -40.175637 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -11.041 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: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -53.835150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.835150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.835150 (E_RNA) where: Base-Base interactions energy: -23.890 where: short stacking energy: -22.029 Base-Backbone interact. energy: -0.069 local terms energy: -29.876479 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -5.639 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: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -60.559213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.559213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.559213 (E_RNA) where: Base-Base interactions energy: -24.005 where: short stacking energy: -24.005 Base-Backbone interact. energy: -0.004 local terms energy: -36.549616 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.379 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -9.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -55.417595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.417595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.417595 (E_RNA) where: Base-Base interactions energy: -28.461 where: short stacking energy: -21.869 Base-Backbone interact. energy: -0.004 local terms energy: -26.952545 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -1.790 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: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -48.579825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.579825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.579825 (E_RNA) where: Base-Base interactions energy: -15.961 where: short stacking energy: -15.961 Base-Backbone interact. energy: -0.000 local terms energy: -32.618579 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -49.241606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.241606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.241606 (E_RNA) where: Base-Base interactions energy: -19.727 where: short stacking energy: -19.727 Base-Backbone interact. energy: -0.003 local terms energy: -29.511165 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -6.385 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: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -42.429103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.429103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.429103 (E_RNA) where: Base-Base interactions energy: -17.210 where: short stacking energy: -17.210 Base-Backbone interact. energy: 0.802 local terms energy: -26.020796 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -1.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -42.919036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.919036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.919036 (E_RNA) where: Base-Base interactions energy: -17.391 where: short stacking energy: -17.391 Base-Backbone interact. energy: -0.076 local terms energy: -25.452461 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -4.040 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: 10, replica: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -44.925587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.925587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.925587 (E_RNA) where: Base-Base interactions energy: -13.930 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.000 local terms energy: -30.995085 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -8.084 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -6.436 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: 1, replica: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -82.285494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.285494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.285494 (E_RNA) where: Base-Base interactions energy: -44.142 where: short stacking energy: -32.117 Base-Backbone interact. energy: -0.000 local terms energy: -38.142810 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -7.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -63.819398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.819398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.819398 (E_RNA) where: Base-Base interactions energy: -25.155 where: short stacking energy: -25.155 Base-Backbone interact. energy: -0.000 local terms energy: -38.664636 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -9.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -63.183874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.183874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.183874 (E_RNA) where: Base-Base interactions energy: -26.233 where: short stacking energy: -26.233 Base-Backbone interact. energy: -0.000 local terms energy: -36.950536 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -9.497 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: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -57.559902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.559902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.559902 (E_RNA) where: Base-Base interactions energy: -23.333 where: short stacking energy: -16.727 Base-Backbone interact. energy: -0.550 local terms energy: -33.677192 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -4.541 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: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -54.990752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.990752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.990752 (E_RNA) where: Base-Base interactions energy: -20.940 where: short stacking energy: -21.040 Base-Backbone interact. energy: -0.827 local terms energy: -33.223793 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -53.201186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.201186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.201186 (E_RNA) where: Base-Base interactions energy: -26.228 where: short stacking energy: -26.228 Base-Backbone interact. energy: -0.003 local terms energy: -26.970656 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -1.137 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -51.757672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.757672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.757672 (E_RNA) where: Base-Base interactions energy: -18.706 where: short stacking energy: -18.706 Base-Backbone interact. energy: -0.000 local terms energy: -33.051376 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -42.119283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.119283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.119283 (E_RNA) where: Base-Base interactions energy: -10.020 where: short stacking energy: -10.020 Base-Backbone interact. energy: -0.022 local terms energy: -32.076716 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -44.756963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.756963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.756963 (E_RNA) where: Base-Base interactions energy: -20.404 where: short stacking energy: -7.408 Base-Backbone interact. energy: -0.078 local terms energy: -24.274764 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -48.181837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.181837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.181837 (E_RNA) where: Base-Base interactions energy: -13.716 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.431 local terms energy: -34.035009 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -7.113 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: 1, replica: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -84.580552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.580552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.580552 (E_RNA) where: Base-Base interactions energy: -46.681 where: short stacking energy: -28.197 Base-Backbone interact. energy: -0.025 local terms energy: -37.874807 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -6.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -51.608996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.608996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.608996 (E_RNA) where: Base-Base interactions energy: -24.440 where: short stacking energy: -24.273 Base-Backbone interact. energy: -0.013 local terms energy: -27.155658 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -72.736513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.736513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.736513 (E_RNA) where: Base-Base interactions energy: -32.005 where: short stacking energy: -32.005 Base-Backbone interact. energy: -0.000 local terms energy: -40.731201 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -10.249 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: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -54.433832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.433832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.433832 (E_RNA) where: Base-Base interactions energy: -20.787 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.053 local terms energy: -33.593433 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -4.117 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: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -54.899012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.899012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.899012 (E_RNA) where: Base-Base interactions energy: -21.360 where: short stacking energy: -21.360 Base-Backbone interact. energy: -0.047 local terms energy: -33.492272 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -48.501550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.501550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.501550 (E_RNA) where: Base-Base interactions energy: -17.279 where: short stacking energy: -17.279 Base-Backbone interact. energy: -0.003 local terms energy: -31.218780 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -48.379001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.379001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.379001 (E_RNA) where: Base-Base interactions energy: -16.479 where: short stacking energy: -16.479 Base-Backbone interact. energy: -0.003 local terms energy: -31.897009 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -6.368 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: 8, replica: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -47.632487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.632487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.632487 (E_RNA) where: Base-Base interactions energy: -23.830 where: short stacking energy: -18.780 Base-Backbone interact. energy: -0.074 local terms energy: -23.728864 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -4.093 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: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -40.560779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.560779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.560779 (E_RNA) where: Base-Base interactions energy: -11.013 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.104 local terms energy: -29.443522 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -46.951829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.951829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.951829 (E_RNA) where: Base-Base interactions energy: -20.083 where: short stacking energy: -20.083 Base-Backbone interact. energy: -0.000 local terms energy: -26.869155 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -2.603 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: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -81.202346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.202346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.202346 (E_RNA) where: Base-Base interactions energy: -47.733 where: short stacking energy: -31.620 Base-Backbone interact. energy: 0.412 local terms energy: -33.881230 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -8.380 flat angles P-C4'-P energy: -5.091 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: 2, replica: 9 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -73.163620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.163620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.163620 (E_RNA) where: Base-Base interactions energy: -33.805 where: short stacking energy: -32.784 Base-Backbone interact. energy: -0.000 local terms energy: -39.358364 where: bonds (distance) C4'-P energy: -7.468 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -8.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -64.348630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.348630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.348630 (E_RNA) where: Base-Base interactions energy: -30.057 where: short stacking energy: -30.057 Base-Backbone interact. energy: -0.766 local terms energy: -33.526446 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -8.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -61.817960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.817960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.817960 (E_RNA) where: Base-Base interactions energy: -27.024 where: short stacking energy: -27.024 Base-Backbone interact. energy: -0.000 local terms energy: -34.794169 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -4.488 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: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -53.183643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.183643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.183643 (E_RNA) where: Base-Base interactions energy: -20.839 where: short stacking energy: -20.839 Base-Backbone interact. energy: -0.003 local terms energy: -32.341325 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -45.829521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.829521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.829521 (E_RNA) where: Base-Base interactions energy: -13.737 where: short stacking energy: -13.737 Base-Backbone interact. energy: -0.031 local terms energy: -32.061062 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -2.874 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: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -41.930712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.930712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.930712 (E_RNA) where: Base-Base interactions energy: -15.144 where: short stacking energy: -15.144 Base-Backbone interact. energy: 0.716 local terms energy: -27.503537 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -3.860 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: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -44.009757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.009757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.009757 (E_RNA) where: Base-Base interactions energy: -18.254 where: short stacking energy: -15.466 Base-Backbone interact. energy: -0.002 local terms energy: -25.753714 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -5.632 flat angles C4'-P-C4' energy: -8.149 flat angles P-C4'-P energy: 0.127 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -45.104708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.104708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.104708 (E_RNA) where: Base-Base interactions energy: -16.765 where: short stacking energy: -10.231 Base-Backbone interact. energy: -0.061 local terms energy: -28.279424 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -3.356 flat angles P-C4'-P energy: -7.233 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: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -43.401249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.401249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.401249 (E_RNA) where: Base-Base interactions energy: -18.803 where: short stacking energy: -18.803 Base-Backbone interact. energy: -0.001 local terms energy: -24.597523 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -1.168 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -56.390300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.390300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.390300 (E_RNA) where: Base-Base interactions energy: -21.242 where: short stacking energy: -21.242 Base-Backbone interact. energy: -0.841 local terms energy: -34.306539 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -79.992568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.992568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.992568 (E_RNA) where: Base-Base interactions energy: -47.580 where: short stacking energy: -26.927 Base-Backbone interact. energy: -0.007 local terms energy: -32.405173 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -7.031 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: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -60.920599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.920599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.920599 (E_RNA) where: Base-Base interactions energy: -26.307 where: short stacking energy: -26.307 Base-Backbone interact. energy: -0.001 local terms energy: -34.611870 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -8.602 flat angles P-C4'-P energy: -4.636 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: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -58.797186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.797186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.797186 (E_RNA) where: Base-Base interactions energy: -23.272 where: short stacking energy: -23.272 Base-Backbone interact. energy: -0.002 local terms energy: -35.523624 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -5.660 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: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -45.269649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.269649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.269649 (E_RNA) where: Base-Base interactions energy: -15.004 where: short stacking energy: -15.004 Base-Backbone interact. energy: -0.140 local terms energy: -30.126306 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -4.214 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: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -41.269872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.269872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.269872 (E_RNA) where: Base-Base interactions energy: -12.072 where: short stacking energy: -12.072 Base-Backbone interact. energy: -0.008 local terms energy: -29.189343 where: bonds (distance) C4'-P energy: -5.799 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -4.841 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: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -54.029688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.029688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.029688 (E_RNA) where: Base-Base interactions energy: -24.978 where: short stacking energy: -16.183 Base-Backbone interact. energy: -0.010 local terms energy: -29.041734 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -34.449557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.449557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.449557 (E_RNA) where: Base-Base interactions energy: -12.578 where: short stacking energy: -7.064 Base-Backbone interact. energy: -0.072 local terms energy: -21.800469 where: bonds (distance) C4'-P energy: -2.065 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: 0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -42.414335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.414335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.414335 (E_RNA) where: Base-Base interactions energy: -12.345 where: short stacking energy: -12.345 Base-Backbone interact. energy: -0.090 local terms energy: -29.979396 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -3.257 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: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -47.396718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.396718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.396718 (E_RNA) where: Base-Base interactions energy: -18.300 where: short stacking energy: -17.455 Base-Backbone interact. energy: -0.201 local terms energy: -28.895538 where: bonds (distance) C4'-P energy: -5.516 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -79.523813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.523813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.523813 (E_RNA) where: Base-Base interactions energy: -37.403 where: short stacking energy: -33.237 Base-Backbone interact. energy: -0.000 local terms energy: -42.121134 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -9.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -59.238498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.238498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.238498 (E_RNA) where: Base-Base interactions energy: -25.570 where: short stacking energy: -25.570 Base-Backbone interact. energy: -0.000 local terms energy: -33.667991 where: bonds (distance) C4'-P energy: -3.741 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -6.221 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: 3, replica: 8 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -62.500105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.500105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.500105 (E_RNA) where: Base-Base interactions energy: -27.483 where: short stacking energy: -27.483 Base-Backbone interact. energy: -0.000 local terms energy: -35.016995 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.756 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -8.838 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: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -55.647135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.647135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.647135 (E_RNA) where: Base-Base interactions energy: -24.281 where: short stacking energy: -24.281 Base-Backbone interact. energy: -0.004 local terms energy: -31.361796 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.299 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: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -52.173355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.173355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.173355 (E_RNA) where: Base-Base interactions energy: -19.963 where: short stacking energy: -19.963 Base-Backbone interact. energy: 1.203 local terms energy: -33.413053 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -54.932318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.932318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.932318 (E_RNA) where: Base-Base interactions energy: -30.915 where: short stacking energy: -19.424 Base-Backbone interact. energy: -0.000 local terms energy: -24.016560 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: 0.668 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -39.496756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.496756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.496756 (E_RNA) where: Base-Base interactions energy: -10.769 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.241 local terms energy: -28.487066 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -49.865785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.865785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.865785 (E_RNA) where: Base-Base interactions energy: -24.900 where: short stacking energy: -14.646 Base-Backbone interact. energy: 1.299 local terms energy: -26.265334 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -47.740072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.740072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.740072 (E_RNA) where: Base-Base interactions energy: -20.547 where: short stacking energy: -9.083 Base-Backbone interact. energy: -0.072 local terms energy: -27.120562 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: 1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -42.789900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.789900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.789900 (E_RNA) where: Base-Base interactions energy: -16.757 where: short stacking energy: -15.402 Base-Backbone interact. energy: -0.044 local terms energy: -25.988913 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -6.877 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -74.927511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.927511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.927511 (E_RNA) where: Base-Base interactions energy: -32.662 where: short stacking energy: -32.662 Base-Backbone interact. energy: -0.000 local terms energy: -42.265900 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -9.581 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: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -74.109738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.109738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.109738 (E_RNA) where: Base-Base interactions energy: -34.792 where: short stacking energy: -34.792 Base-Backbone interact. energy: -0.000 local terms energy: -39.317581 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -11.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -68.336572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.336572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.336572 (E_RNA) where: Base-Base interactions energy: -33.124 where: short stacking energy: -25.765 Base-Backbone interact. energy: -0.014 local terms energy: -35.198505 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -54.700647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.700647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.700647 (E_RNA) where: Base-Base interactions energy: -26.139 where: short stacking energy: -20.616 Base-Backbone interact. energy: -0.000 local terms energy: -28.561589 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.888 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: 5, replica: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -45.204078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.204078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.204078 (E_RNA) where: Base-Base interactions energy: -15.508 where: short stacking energy: -15.508 Base-Backbone interact. energy: -0.016 local terms energy: -29.680217 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -4.269 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: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -54.312184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.312184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.312184 (E_RNA) where: Base-Base interactions energy: -24.514 where: short stacking energy: -24.193 Base-Backbone interact. energy: -0.000 local terms energy: -29.798037 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -8.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -49.274108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.274108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.274108 (E_RNA) where: Base-Base interactions energy: -20.466 where: short stacking energy: -20.466 Base-Backbone interact. energy: -0.122 local terms energy: -28.686020 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -1.815 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -43.508055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.508055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.508055 (E_RNA) where: Base-Base interactions energy: -12.961 where: short stacking energy: -12.961 Base-Backbone interact. energy: -0.000 local terms energy: -30.546899 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -6.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -43.730316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.730316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.730316 (E_RNA) where: Base-Base interactions energy: -16.903 where: short stacking energy: -16.903 Base-Backbone interact. energy: -0.041 local terms energy: -26.786206 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -4.138 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: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -37.155476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.155476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.155476 (E_RNA) where: Base-Base interactions energy: -11.405 where: short stacking energy: -6.998 Base-Backbone interact. energy: -0.365 local terms energy: -25.384889 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.559 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: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -68.484721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.484721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.484721 (E_RNA) where: Base-Base interactions energy: -36.656 where: short stacking energy: -23.915 Base-Backbone interact. energy: -0.392 local terms energy: -31.436861 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -71.857528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.857528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.857528 (E_RNA) where: Base-Base interactions energy: -40.991 where: short stacking energy: -22.206 Base-Backbone interact. energy: -0.010 local terms energy: -30.856377 where: bonds (distance) C4'-P energy: -5.540 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -3.600 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: 3, replica: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -61.164393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.164393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.164393 (E_RNA) where: Base-Base interactions energy: -30.746 where: short stacking energy: -30.746 Base-Backbone interact. energy: -0.005 local terms energy: -30.413344 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -5.039 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -60.728230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.728230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.728230 (E_RNA) where: Base-Base interactions energy: -30.797 where: short stacking energy: -26.934 Base-Backbone interact. energy: -0.006 local terms energy: -29.925631 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.843 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: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -58.657887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.657887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.657887 (E_RNA) where: Base-Base interactions energy: -25.185 where: short stacking energy: -24.664 Base-Backbone interact. energy: -0.161 local terms energy: -33.311809 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -5.353 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: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -44.695262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.695262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.695262 (E_RNA) where: Base-Base interactions energy: -16.079 where: short stacking energy: -16.079 Base-Backbone interact. energy: -0.200 local terms energy: -28.416248 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -49.407148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.407148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.407148 (E_RNA) where: Base-Base interactions energy: -16.443 where: short stacking energy: -16.443 Base-Backbone interact. energy: -0.005 local terms energy: -32.959262 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -46.497127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.497127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.497127 (E_RNA) where: Base-Base interactions energy: -13.528 where: short stacking energy: -13.528 Base-Backbone interact. energy: -0.011 local terms energy: -32.957802 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -40.963559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.963559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.963559 (E_RNA) where: Base-Base interactions energy: -11.793 where: short stacking energy: -11.000 Base-Backbone interact. energy: -0.073 local terms energy: -29.096758 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -3.541 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: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -44.979561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.979561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.979561 (E_RNA) where: Base-Base interactions energy: -16.680 where: short stacking energy: -16.680 Base-Backbone interact. energy: -0.000 local terms energy: -28.299846 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -73.387947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.387947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.387947 (E_RNA) where: Base-Base interactions energy: -37.140 where: short stacking energy: -24.001 Base-Backbone interact. energy: -0.000 local terms energy: -36.247210 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -6.311 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: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -71.479294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.479294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.479294 (E_RNA) where: Base-Base interactions energy: -42.261 where: short stacking energy: -23.174 Base-Backbone interact. energy: -0.000 local terms energy: -29.217682 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -3.183 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: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -51.188676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.188676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.188676 (E_RNA) where: Base-Base interactions energy: -22.141 where: short stacking energy: -22.141 Base-Backbone interact. energy: -0.001 local terms energy: -29.046552 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.660 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: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -48.445168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.445168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.445168 (E_RNA) where: Base-Base interactions energy: -21.153 where: short stacking energy: -21.153 Base-Backbone interact. energy: -0.001 local terms energy: -27.291303 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -1.497 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: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -52.450682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.450682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.450682 (E_RNA) where: Base-Base interactions energy: -22.319 where: short stacking energy: -22.319 Base-Backbone interact. energy: -0.000 local terms energy: -30.131591 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -5.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -53.264174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.264174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.264174 (E_RNA) where: Base-Base interactions energy: -17.753 where: short stacking energy: -12.549 Base-Backbone interact. energy: -0.099 local terms energy: -35.412404 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -7.053 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: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -46.461024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.461024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.461024 (E_RNA) where: Base-Base interactions energy: -21.746 where: short stacking energy: -21.704 Base-Backbone interact. energy: -0.001 local terms energy: -24.714104 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.068 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: 8, replica: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -50.005888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.005888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.005888 (E_RNA) where: Base-Base interactions energy: -20.818 where: short stacking energy: -20.818 Base-Backbone interact. energy: -0.000 local terms energy: -29.187246 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -39.965069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.965069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.965069 (E_RNA) where: Base-Base interactions energy: -10.973 where: short stacking energy: -10.973 Base-Backbone interact. energy: -0.044 local terms energy: -28.948183 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.948 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -39.946860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.946860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.946860 (E_RNA) where: Base-Base interactions energy: -16.705 where: short stacking energy: -16.705 Base-Backbone interact. energy: -0.085 local terms energy: -23.156905 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: 0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -64.865268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.865268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.865268 (E_RNA) where: Base-Base interactions energy: -28.120 where: short stacking energy: -26.825 Base-Backbone interact. energy: -0.005 local terms energy: -36.739948 where: bonds (distance) C4'-P energy: -8.425 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -61.680176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.680176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.680176 (E_RNA) where: Base-Base interactions energy: -30.295 where: short stacking energy: -19.471 Base-Backbone interact. energy: -0.016 local terms energy: -31.369129 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.986 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -4.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -58.014640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.014640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.014640 (E_RNA) where: Base-Base interactions energy: -22.621 where: short stacking energy: -22.621 Base-Backbone interact. energy: -0.007 local terms energy: -35.386717 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -5.543 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: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -46.737117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.737117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.737117 (E_RNA) where: Base-Base interactions energy: -16.422 where: short stacking energy: -16.422 Base-Backbone interact. energy: -0.003 local terms energy: -30.312948 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -5.447 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: 5, replica: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -58.800468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.800468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.800468 (E_RNA) where: Base-Base interactions energy: -28.421 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.030 local terms energy: -30.350147 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -44.771044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.771044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.771044 (E_RNA) where: Base-Base interactions energy: -12.547 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.029 local terms energy: -32.194438 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -5.391 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: 7, replica: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -51.988731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.988731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.988731 (E_RNA) where: Base-Base interactions energy: -18.796 where: short stacking energy: -18.796 Base-Backbone interact. energy: -1.105 local terms energy: -32.087256 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -47.773861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.773861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.773861 (E_RNA) where: Base-Base interactions energy: -17.708 where: short stacking energy: -17.708 Base-Backbone interact. energy: -0.063 local terms energy: -30.002488 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -2.345 flat angles P-C4'-P energy: -6.866 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -40.801176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.801176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.801176 (E_RNA) where: Base-Base interactions energy: -13.476 where: short stacking energy: -13.099 Base-Backbone interact. energy: -0.053 local terms energy: -27.272488 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -46.239972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.239972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.239972 (E_RNA) where: Base-Base interactions energy: -16.744 where: short stacking energy: -11.248 Base-Backbone interact. energy: -0.006 local terms energy: -29.490398 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -0.234 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: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -64.045944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.045944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.045944 (E_RNA) where: Base-Base interactions energy: -27.417 where: short stacking energy: -25.469 Base-Backbone interact. energy: -0.211 local terms energy: -36.418640 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -65.777317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.777317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.777317 (E_RNA) where: Base-Base interactions energy: -29.645 where: short stacking energy: -28.813 Base-Backbone interact. energy: -0.001 local terms energy: -36.131338 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -70.137938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.137938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.137938 (E_RNA) where: Base-Base interactions energy: -39.731 where: short stacking energy: -22.150 Base-Backbone interact. energy: -0.001 local terms energy: -30.406875 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -66.933446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.933446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.933446 (E_RNA) where: Base-Base interactions energy: -28.176 where: short stacking energy: -28.176 Base-Backbone interact. energy: -0.000 local terms energy: -38.756720 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -10.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -58.740152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.740152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.740152 (E_RNA) where: Base-Base interactions energy: -27.816 where: short stacking energy: -18.431 Base-Backbone interact. energy: -0.075 local terms energy: -30.849375 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -49.179211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.179211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.179211 (E_RNA) where: Base-Base interactions energy: -20.057 where: short stacking energy: -20.057 Base-Backbone interact. energy: -0.171 local terms energy: -28.951067 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -50.320879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.320879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.320879 (E_RNA) where: Base-Base interactions energy: -20.539 where: short stacking energy: -20.539 Base-Backbone interact. energy: -0.000 local terms energy: -29.781591 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -40.386456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.386456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.386456 (E_RNA) where: Base-Base interactions energy: -10.554 where: short stacking energy: -10.554 Base-Backbone interact. energy: -0.000 local terms energy: -29.831888 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -42.369392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.369392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.369392 (E_RNA) where: Base-Base interactions energy: -17.351 where: short stacking energy: -17.351 Base-Backbone interact. energy: -0.101 local terms energy: -24.917163 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -4.965 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -54.227288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.227288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.227288 (E_RNA) where: Base-Base interactions energy: -23.774 where: short stacking energy: -11.316 Base-Backbone interact. energy: 0.868 local terms energy: -31.320899 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -6.525 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: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -60.383050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.383050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.383050 (E_RNA) where: Base-Base interactions energy: -23.136 where: short stacking energy: -23.136 Base-Backbone interact. energy: -0.001 local terms energy: -37.246074 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -7.518 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: 3 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -79.508621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.508621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.508621 (E_RNA) where: Base-Base interactions energy: -42.171 where: short stacking energy: -27.012 Base-Backbone interact. energy: -0.000 local terms energy: -37.337212 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -3.712 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: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -55.986781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.986781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.986781 (E_RNA) where: Base-Base interactions energy: -21.518 where: short stacking energy: -21.518 Base-Backbone interact. energy: -0.004 local terms energy: -34.464550 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -5.549 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: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -54.530713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.530713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.530713 (E_RNA) where: Base-Base interactions energy: -24.162 where: short stacking energy: -24.162 Base-Backbone interact. energy: -0.063 local terms energy: -30.306484 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -4.928 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: 5, replica: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -59.156952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.156952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.156952 (E_RNA) where: Base-Base interactions energy: -25.847 where: short stacking energy: -25.847 Base-Backbone interact. energy: -0.023 local terms energy: -33.287812 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -6.806 flat angles C4'-P-C4' energy: -8.731 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -6.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -45.915823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.915823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.915823 (E_RNA) where: Base-Base interactions energy: -18.209 where: short stacking energy: -18.209 Base-Backbone interact. energy: -0.326 local terms energy: -27.380080 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -3.738 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: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -47.559982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.559982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.559982 (E_RNA) where: Base-Base interactions energy: -17.764 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.349 local terms energy: -29.446721 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -7.190 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -48.011188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.011188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.011188 (E_RNA) where: Base-Base interactions energy: -23.814 where: short stacking energy: -19.146 Base-Backbone interact. energy: -0.131 local terms energy: -24.065984 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -1.898 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: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -48.008008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.008008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.008008 (E_RNA) where: Base-Base interactions energy: -15.807 where: short stacking energy: -15.807 Base-Backbone interact. energy: -0.014 local terms energy: -32.187356 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -3.361 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: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -42.140803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.140803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.140803 (E_RNA) where: Base-Base interactions energy: -16.451 where: short stacking energy: -16.451 Base-Backbone interact. energy: -0.002 local terms energy: -25.687785 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -4.107 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: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -77.682483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.682483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.682483 (E_RNA) where: Base-Base interactions energy: -45.330 where: short stacking energy: -23.428 Base-Backbone interact. energy: -0.003 local terms energy: -32.349128 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -73.702744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.702744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.702744 (E_RNA) where: Base-Base interactions energy: -36.126 where: short stacking energy: -32.389 Base-Backbone interact. energy: -0.000 local terms energy: -37.577037 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -6.778 flat angles C4'-P-C4' energy: -8.258 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -10.452 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: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -59.646549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.646549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.646549 (E_RNA) where: Base-Base interactions energy: -32.421 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.022 local terms energy: -27.203155 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -53.819837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.819837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.819837 (E_RNA) where: Base-Base interactions energy: -21.799 where: short stacking energy: -15.706 Base-Backbone interact. energy: -0.004 local terms energy: -32.016699 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -50.433895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.433895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.433895 (E_RNA) where: Base-Base interactions energy: -19.335 where: short stacking energy: -19.335 Base-Backbone interact. energy: -0.158 local terms energy: -30.940637 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -5.487 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: 6, replica: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -48.138993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.138993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.138993 (E_RNA) where: Base-Base interactions energy: -19.507 where: short stacking energy: -17.088 Base-Backbone interact. energy: -0.074 local terms energy: -28.557696 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -55.796344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.796344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.796344 (E_RNA) where: Base-Base interactions energy: -29.381 where: short stacking energy: -14.378 Base-Backbone interact. energy: -0.005 local terms energy: -26.409810 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -2.823 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: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -43.305033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.305033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.305033 (E_RNA) where: Base-Base interactions energy: -14.647 where: short stacking energy: -14.647 Base-Backbone interact. energy: -0.108 local terms energy: -28.550246 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -43.753609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.753609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.753609 (E_RNA) where: Base-Base interactions energy: -14.079 where: short stacking energy: -14.079 Base-Backbone interact. energy: -0.002 local terms energy: -29.672700 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -40.250446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.250446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.250446 (E_RNA) where: Base-Base interactions energy: -15.113 where: short stacking energy: -15.113 Base-Backbone interact. energy: -0.009 local terms energy: -25.128770 where: bonds (distance) C4'-P energy: -4.772 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -84.713858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.713858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.713858 (E_RNA) where: Base-Base interactions energy: -48.198 where: short stacking energy: -24.384 Base-Backbone interact. energy: 0.832 local terms energy: -37.347660 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -6.497 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: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -65.919487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.919487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.919487 (E_RNA) where: Base-Base interactions energy: -30.111 where: short stacking energy: -29.022 Base-Backbone interact. energy: -0.002 local terms energy: -35.806893 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -70.939028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.939028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.939028 (E_RNA) where: Base-Base interactions energy: -34.514 where: short stacking energy: -22.617 Base-Backbone interact. energy: -0.021 local terms energy: -36.404635 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -5.316 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: 4, replica: 7 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -63.284579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.284579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.284579 (E_RNA) where: Base-Base interactions energy: -27.273 where: short stacking energy: -27.264 Base-Backbone interact. energy: -0.001 local terms energy: -36.010307 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -8.829 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: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -53.143937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.143937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.143937 (E_RNA) where: Base-Base interactions energy: -22.557 where: short stacking energy: -22.557 Base-Backbone interact. energy: -0.000 local terms energy: -30.586723 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -5.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -52.612199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.612199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.612199 (E_RNA) where: Base-Base interactions energy: -23.764 where: short stacking energy: -14.648 Base-Backbone interact. energy: 0.137 local terms energy: -28.985045 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -6.660 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: 323 Temperature: 1.200000 Total energy: -49.979427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.979427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.979427 (E_RNA) where: Base-Base interactions energy: -18.927 where: short stacking energy: -15.557 Base-Backbone interact. energy: -0.081 local terms energy: -30.971770 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -45.523057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.523057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.523057 (E_RNA) where: Base-Base interactions energy: -16.231 where: short stacking energy: -16.231 Base-Backbone interact. energy: -0.080 local terms energy: -29.211606 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -4.796 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: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -44.395902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.395902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.395902 (E_RNA) where: Base-Base interactions energy: -13.334 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.001 local terms energy: -31.061617 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -46.067247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.067247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.067247 (E_RNA) where: Base-Base interactions energy: -15.771 where: short stacking energy: -15.771 Base-Backbone interact. energy: -0.020 local terms energy: -30.276098 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -5.933 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -7.203 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -63.886356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.886356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.886356 (E_RNA) where: Base-Base interactions energy: -29.631 where: short stacking energy: -29.631 Base-Backbone interact. energy: -0.001 local terms energy: -34.254458 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -5.016 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: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -67.957263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.957263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.957263 (E_RNA) where: Base-Base interactions energy: -38.555 where: short stacking energy: -8.856 Base-Backbone interact. energy: -1.429 local terms energy: -27.972633 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.250 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: 1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -56.195855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.195855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.195855 (E_RNA) where: Base-Base interactions energy: -20.759 where: short stacking energy: -20.759 Base-Backbone interact. energy: -0.000 local terms energy: -35.436794 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -54.597725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.597725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.597725 (E_RNA) where: Base-Base interactions energy: -20.628 where: short stacking energy: -20.628 Base-Backbone interact. energy: -0.002 local terms energy: -33.966807 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -4.744 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: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -48.855147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.855147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.855147 (E_RNA) where: Base-Base interactions energy: -18.885 where: short stacking energy: -18.885 Base-Backbone interact. energy: -0.005 local terms energy: -29.965208 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -4.837 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: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -52.505117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.505117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.505117 (E_RNA) where: Base-Base interactions energy: -21.104 where: short stacking energy: -21.104 Base-Backbone interact. energy: -0.131 local terms energy: -31.270040 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -45.074643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.074643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.074643 (E_RNA) where: Base-Base interactions energy: -16.804 where: short stacking energy: -13.627 Base-Backbone interact. energy: -0.211 local terms energy: -28.059740 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -5.140 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: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -37.778521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.778521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.778521 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -10.098 Base-Backbone interact. energy: -0.012 local terms energy: -27.968413 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -44.921042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.921042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.921042 (E_RNA) where: Base-Base interactions energy: -15.537 where: short stacking energy: -15.537 Base-Backbone interact. energy: -0.001 local terms energy: -29.382946 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -2.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -37.018713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.018713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.018713 (E_RNA) where: Base-Base interactions energy: -8.446 where: short stacking energy: -8.446 Base-Backbone interact. energy: -0.159 local terms energy: -28.414530 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -62.884871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.884871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.884871 (E_RNA) where: Base-Base interactions energy: -27.040 where: short stacking energy: -26.118 Base-Backbone interact. energy: -0.000 local terms energy: -35.844364 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -6.412 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: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -80.038867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.038867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.038867 (E_RNA) where: Base-Base interactions energy: -49.234 where: short stacking energy: -23.273 Base-Backbone interact. energy: -0.122 local terms energy: -30.683049 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -69.481724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.481724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.481724 (E_RNA) where: Base-Base interactions energy: -40.939 where: short stacking energy: -14.219 Base-Backbone interact. energy: -0.195 local terms energy: -28.348228 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -7.103 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: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -67.813691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.813691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.813691 (E_RNA) where: Base-Base interactions energy: -38.400 where: short stacking energy: -22.245 Base-Backbone interact. energy: -0.014 local terms energy: -29.399683 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -57.333556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.333556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.333556 (E_RNA) where: Base-Base interactions energy: -30.001 where: short stacking energy: -20.483 Base-Backbone interact. energy: -0.008 local terms energy: -27.324919 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -4.393 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: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -48.908808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.908808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.908808 (E_RNA) where: Base-Base interactions energy: -26.801 where: short stacking energy: -14.704 Base-Backbone interact. energy: 1.106 local terms energy: -23.213039 where: bonds (distance) C4'-P energy: -3.999 bonds (distance) P-C4' energy: -6.862 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -48.374937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.374937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.374937 (E_RNA) where: Base-Base interactions energy: -16.371 where: short stacking energy: -15.358 Base-Backbone interact. energy: -0.002 local terms energy: -32.001891 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -5.511 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: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -47.011613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.011613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.011613 (E_RNA) where: Base-Base interactions energy: -18.685 where: short stacking energy: -18.685 Base-Backbone interact. energy: 0.405 local terms energy: -28.730734 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -4.606 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: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -36.962388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.962388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.962388 (E_RNA) where: Base-Base interactions energy: -18.558 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.137 local terms energy: -18.266649 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -6.186 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -0.440 tors. eta vs tors. theta energy: 0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -48.532567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.532567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.532567 (E_RNA) where: Base-Base interactions energy: -19.444 where: short stacking energy: -19.444 Base-Backbone interact. energy: -0.051 local terms energy: -29.037756 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -5.070 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -4.199 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: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -78.751414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.751414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.751414 (E_RNA) where: Base-Base interactions energy: -41.936 where: short stacking energy: -28.788 Base-Backbone interact. energy: -0.003 local terms energy: -36.812146 where: bonds (distance) C4'-P energy: -6.759 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -8.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -59.558884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.558884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.558884 (E_RNA) where: Base-Base interactions energy: -27.647 where: short stacking energy: -27.647 Base-Backbone interact. energy: -0.000 local terms energy: -31.911156 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -0.631 tors. eta vs tors. theta energy: -8.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -70.014743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.014743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.014743 (E_RNA) where: Base-Base interactions energy: -36.627 where: short stacking energy: -22.807 Base-Backbone interact. energy: -0.011 local terms energy: -33.376747 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -9.145 flat angles P-C4'-P energy: -6.376 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: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -48.669457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.669457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.669457 (E_RNA) where: Base-Base interactions energy: -20.077 where: short stacking energy: -20.077 Base-Backbone interact. energy: -0.001 local terms energy: -28.591345 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -1.236 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: 5, replica: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -55.233413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.233413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.233413 (E_RNA) where: Base-Base interactions energy: -28.189 where: short stacking energy: -14.160 Base-Backbone interact. energy: -0.020 local terms energy: -27.024940 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -54.795322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.795322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.795322 (E_RNA) where: Base-Base interactions energy: -20.456 where: short stacking energy: -19.052 Base-Backbone interact. energy: -0.110 local terms energy: -34.228861 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -47.288190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.288190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.288190 (E_RNA) where: Base-Base interactions energy: -16.886 where: short stacking energy: -16.886 Base-Backbone interact. energy: -0.000 local terms energy: -30.402241 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -46.475387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.475387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.475387 (E_RNA) where: Base-Base interactions energy: -18.762 where: short stacking energy: -15.019 Base-Backbone interact. energy: -0.746 local terms energy: -26.966936 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -47.467951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.467951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.467951 (E_RNA) where: Base-Base interactions energy: -22.037 where: short stacking energy: -17.604 Base-Backbone interact. energy: -0.024 local terms energy: -25.406249 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -6.513 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -3.326 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: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -46.369172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.369172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.369172 (E_RNA) where: Base-Base interactions energy: -21.861 where: short stacking energy: -18.804 Base-Backbone interact. energy: -0.011 local terms energy: -24.497278 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: 0.754 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: 1, replica: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -75.262847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.262847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.262847 (E_RNA) where: Base-Base interactions energy: -43.313 where: short stacking energy: -21.415 Base-Backbone interact. energy: -1.888 local terms energy: -30.061739 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -62.530757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.530757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.530757 (E_RNA) where: Base-Base interactions energy: -28.728 where: short stacking energy: -28.728 Base-Backbone interact. energy: -0.005 local terms energy: -33.797816 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -7.447 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: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -72.342066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.342066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.342066 (E_RNA) where: Base-Base interactions energy: -38.069 where: short stacking energy: -27.155 Base-Backbone interact. energy: -0.389 local terms energy: -33.883857 where: bonds (distance) C4'-P energy: -5.621 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -51.223783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.223783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.223783 (E_RNA) where: Base-Base interactions energy: -20.101 where: short stacking energy: -15.718 Base-Backbone interact. energy: -0.004 local terms energy: -31.119364 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -5.543 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: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -53.476370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.476370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.476370 (E_RNA) where: Base-Base interactions energy: -19.747 where: short stacking energy: -19.237 Base-Backbone interact. energy: -0.000 local terms energy: -33.729757 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -4.230 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: 6, replica: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -56.371197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.371197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.371197 (E_RNA) where: Base-Base interactions energy: -21.847 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.000 local terms energy: -34.523771 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.614 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -52.268504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.268504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.268504 (E_RNA) where: Base-Base interactions energy: -19.706 where: short stacking energy: -19.706 Base-Backbone interact. energy: -0.000 local terms energy: -32.562077 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -6.604 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: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -46.174679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.174679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.174679 (E_RNA) where: Base-Base interactions energy: -17.757 where: short stacking energy: -17.757 Base-Backbone interact. energy: 0.489 local terms energy: -28.907394 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -41.307192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.307192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.307192 (E_RNA) where: Base-Base interactions energy: -14.607 where: short stacking energy: -14.607 Base-Backbone interact. energy: -0.148 local terms energy: -26.552068 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -3.051 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: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -45.349772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.349772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.349772 (E_RNA) where: Base-Base interactions energy: -14.422 where: short stacking energy: -14.422 Base-Backbone interact. energy: -0.062 local terms energy: -30.866636 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -62.459644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.459644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.459644 (E_RNA) where: Base-Base interactions energy: -27.027 where: short stacking energy: -27.027 Base-Backbone interact. energy: -0.000 local terms energy: -35.432681 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -79.529207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.529207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.529207 (E_RNA) where: Base-Base interactions energy: -44.993 where: short stacking energy: -24.687 Base-Backbone interact. energy: -0.018 local terms energy: -34.518928 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -5.422 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: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -64.798884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.798884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.798884 (E_RNA) where: Base-Base interactions energy: -29.121 where: short stacking energy: -22.264 Base-Backbone interact. energy: -0.002 local terms energy: -35.675216 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -66.709370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.709370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.709370 (E_RNA) where: Base-Base interactions energy: -34.784 where: short stacking energy: -15.205 Base-Backbone interact. energy: -1.043 local terms energy: -30.882324 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -5.800 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -55.695099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.695099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.695099 (E_RNA) where: Base-Base interactions energy: -25.538 where: short stacking energy: -25.538 Base-Backbone interact. energy: -0.002 local terms energy: -30.155033 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -48.538493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.538493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.538493 (E_RNA) where: Base-Base interactions energy: -16.101 where: short stacking energy: -12.487 Base-Backbone interact. energy: -2.594 local terms energy: -29.843764 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -4.295 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: 7, replica: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -51.751682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.751682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.751682 (E_RNA) where: Base-Base interactions energy: -20.011 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.075 local terms energy: -31.665820 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -5.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -46.767382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.767382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.767382 (E_RNA) where: Base-Base interactions energy: -22.106 where: short stacking energy: -22.106 Base-Backbone interact. energy: 0.272 local terms energy: -24.933460 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -2.181 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -45.953269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.953269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.953269 (E_RNA) where: Base-Base interactions energy: -14.685 where: short stacking energy: -14.685 Base-Backbone interact. energy: -0.009 local terms energy: -31.259252 where: bonds (distance) C4'-P energy: -4.583 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -7.432 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: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -50.124843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.124843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.124843 (E_RNA) where: Base-Base interactions energy: -18.317 where: short stacking energy: -17.550 Base-Backbone interact. energy: -0.074 local terms energy: -31.733580 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -3.933 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: 1, replica: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -65.186189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.186189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.186189 (E_RNA) where: Base-Base interactions energy: -30.588 where: short stacking energy: -30.588 Base-Backbone interact. energy: -0.004 local terms energy: -34.594858 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -81.471107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.471107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.471107 (E_RNA) where: Base-Base interactions energy: -46.419 where: short stacking energy: -26.757 Base-Backbone interact. energy: -0.001 local terms energy: -35.050813 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -7.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -63.567505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.567505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.567505 (E_RNA) where: Base-Base interactions energy: -37.653 where: short stacking energy: -24.298 Base-Backbone interact. energy: -0.004 local terms energy: -25.911001 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -4.931 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -2.131 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: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -51.434978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.434978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.434978 (E_RNA) where: Base-Base interactions energy: -25.541 where: short stacking energy: -12.336 Base-Backbone interact. energy: -0.046 local terms energy: -25.847232 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -48.638778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.638778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.638778 (E_RNA) where: Base-Base interactions energy: -17.647 where: short stacking energy: -17.070 Base-Backbone interact. energy: -0.075 local terms energy: -30.916003 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -48.540713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.540713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.540713 (E_RNA) where: Base-Base interactions energy: -20.697 where: short stacking energy: -20.697 Base-Backbone interact. energy: -0.001 local terms energy: -27.841984 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -42.928445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.928445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.928445 (E_RNA) where: Base-Base interactions energy: -16.687 where: short stacking energy: -16.687 Base-Backbone interact. energy: -0.001 local terms energy: -26.240324 where: bonds (distance) C4'-P energy: -7.078 bonds (distance) P-C4' energy: -5.874 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -44.069277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.069277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.069277 (E_RNA) where: Base-Base interactions energy: -13.647 where: short stacking energy: -13.647 Base-Backbone interact. energy: -0.000 local terms energy: -30.422574 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -2.119 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: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -45.133933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.133933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.133933 (E_RNA) where: Base-Base interactions energy: -19.250 where: short stacking energy: -19.086 Base-Backbone interact. energy: 0.065 local terms energy: -25.948356 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -46.826344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.826344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.826344 (E_RNA) where: Base-Base interactions energy: -13.544 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.471 local terms energy: -32.811321 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -6.267 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: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -77.376518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.376518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.376518 (E_RNA) where: Base-Base interactions energy: -43.745 where: short stacking energy: -23.340 Base-Backbone interact. energy: -0.000 local terms energy: -33.630856 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -4.599 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: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -59.308973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.308973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.308973 (E_RNA) where: Base-Base interactions energy: -24.569 where: short stacking energy: -24.569 Base-Backbone interact. energy: -0.001 local terms energy: -34.739332 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -54.915651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.915651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.915651 (E_RNA) where: Base-Base interactions energy: -28.894 where: short stacking energy: -28.894 Base-Backbone interact. energy: -0.080 local terms energy: -25.941423 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -1.974 flat angles P-C4'-P energy: -2.016 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: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -62.783185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.783185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.783185 (E_RNA) where: Base-Base interactions energy: -27.923 where: short stacking energy: -19.292 Base-Backbone interact. energy: -0.001 local terms energy: -34.859402 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -8.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -58.169555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.169555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.169555 (E_RNA) where: Base-Base interactions energy: -25.809 where: short stacking energy: -25.809 Base-Backbone interact. energy: -0.018 local terms energy: -32.342841 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -6.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -49.124938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.124938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.124938 (E_RNA) where: Base-Base interactions energy: -22.590 where: short stacking energy: -22.590 Base-Backbone interact. energy: -0.023 local terms energy: -26.511600 where: bonds (distance) C4'-P energy: -5.530 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -4.556 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: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -47.370003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.370003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.370003 (E_RNA) where: Base-Base interactions energy: -24.325 where: short stacking energy: -22.111 Base-Backbone interact. energy: -0.006 local terms energy: -23.039027 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -2.237 flat angles P-C4'-P energy: -5.419 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: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -47.418881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.418881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.418881 (E_RNA) where: Base-Base interactions energy: -18.785 where: short stacking energy: -18.785 Base-Backbone interact. energy: -0.017 local terms energy: -28.616960 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -4.843 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -3.577 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: 9, replica: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -45.198581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.198581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.198581 (E_RNA) where: Base-Base interactions energy: -15.235 where: short stacking energy: -10.608 Base-Backbone interact. energy: -0.091 local terms energy: -29.872098 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -38.042097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.042097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.042097 (E_RNA) where: Base-Base interactions energy: -11.720 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.024 local terms energy: -26.298222 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -74.239536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.239536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.239536 (E_RNA) where: Base-Base interactions energy: -40.656 where: short stacking energy: -32.498 Base-Backbone interact. energy: 1.072 local terms energy: -34.655584 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -5.442 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: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -59.626441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.626441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.626441 (E_RNA) where: Base-Base interactions energy: -27.514 where: short stacking energy: -15.432 Base-Backbone interact. energy: -0.199 local terms energy: -31.913842 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -54.541161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.541161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.541161 (E_RNA) where: Base-Base interactions energy: -27.120 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.000 local terms energy: -27.421188 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -49.713363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.713363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.713363 (E_RNA) where: Base-Base interactions energy: -23.534 where: short stacking energy: -15.591 Base-Backbone interact. energy: -0.416 local terms energy: -25.762991 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -0.327 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -47.276953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.276953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.276953 (E_RNA) where: Base-Base interactions energy: -17.590 where: short stacking energy: -17.590 Base-Backbone interact. energy: -0.276 local terms energy: -29.411123 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -49.044732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.044732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.044732 (E_RNA) where: Base-Base interactions energy: -15.875 where: short stacking energy: -15.829 Base-Backbone interact. energy: -0.012 local terms energy: -33.158309 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -53.443148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.443148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.443148 (E_RNA) where: Base-Base interactions energy: -20.493 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.001 local terms energy: -32.949394 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -45.105942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.105942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.105942 (E_RNA) where: Base-Base interactions energy: -16.422 where: short stacking energy: -16.422 Base-Backbone interact. energy: -0.002 local terms energy: -28.681505 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -5.291 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -46.359960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.359960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.359960 (E_RNA) where: Base-Base interactions energy: -19.902 where: short stacking energy: -19.902 Base-Backbone interact. energy: 0.130 local terms energy: -26.588139 where: bonds (distance) C4'-P energy: -1.349 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -8.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -53.152041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.152041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.152041 (E_RNA) where: Base-Base interactions energy: -24.622 where: short stacking energy: -19.209 Base-Backbone interact. energy: -0.090 local terms energy: -28.440362 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -2.549 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: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -83.844327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.844327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.844327 (E_RNA) where: Base-Base interactions energy: -50.161 where: short stacking energy: -28.602 Base-Backbone interact. energy: -0.019 local terms energy: -33.664595 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -8.013 flat angles P-C4'-P energy: -3.713 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: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -60.050150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.050150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.050150 (E_RNA) where: Base-Base interactions energy: -24.472 where: short stacking energy: -24.472 Base-Backbone interact. energy: -0.001 local terms energy: -35.577628 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -6.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -61.868681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.868681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.868681 (E_RNA) where: Base-Base interactions energy: -28.952 where: short stacking energy: -24.283 Base-Backbone interact. energy: -0.000 local terms energy: -32.916877 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -8.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -57.153961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.153961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.153961 (E_RNA) where: Base-Base interactions energy: -24.558 where: short stacking energy: -24.558 Base-Backbone interact. energy: -0.071 local terms energy: -32.524845 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.141 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -50.830301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.830301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.830301 (E_RNA) where: Base-Base interactions energy: -26.288 where: short stacking energy: -8.137 Base-Backbone interact. energy: -0.078 local terms energy: -24.464338 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -5.003 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: 6, replica: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -51.698189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.698189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.698189 (E_RNA) where: Base-Base interactions energy: -20.587 where: short stacking energy: -20.587 Base-Backbone interact. energy: -0.000 local terms energy: -31.111109 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.742 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -6.973 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: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -47.527268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.527268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.527268 (E_RNA) where: Base-Base interactions energy: -24.186 where: short stacking energy: -15.078 Base-Backbone interact. energy: -0.140 local terms energy: -23.201188 where: bonds (distance) C4'-P energy: -5.187 bonds (distance) P-C4' energy: -5.876 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -39.958340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.958340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.958340 (E_RNA) where: Base-Base interactions energy: -15.239 where: short stacking energy: -14.302 Base-Backbone interact. energy: -0.067 local terms energy: -24.651364 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -4.852 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -43.771829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.771829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.771829 (E_RNA) where: Base-Base interactions energy: -16.143 where: short stacking energy: -16.143 Base-Backbone interact. energy: -0.000 local terms energy: -27.628589 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -1.581 tors. eta vs tors. theta energy: -4.490 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: 332 Temperature: 1.350000 Total energy: -50.930748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.930748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.930748 (E_RNA) where: Base-Base interactions energy: -19.855 where: short stacking energy: -19.855 Base-Backbone interact. energy: -0.006 local terms energy: -31.069750 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -84.743705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.743705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.743705 (E_RNA) where: Base-Base interactions energy: -50.546 where: short stacking energy: -28.445 Base-Backbone interact. energy: -0.001 local terms energy: -34.196188 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -57.253359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.253359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.253359 (E_RNA) where: Base-Base interactions energy: -22.948 where: short stacking energy: -22.948 Base-Backbone interact. energy: -0.004 local terms energy: -34.300840 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -4.566 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: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -56.539377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.539377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.539377 (E_RNA) where: Base-Base interactions energy: -20.776 where: short stacking energy: -20.776 Base-Backbone interact. energy: -0.003 local terms energy: -35.760567 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -6.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -55.913498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.913498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.913498 (E_RNA) where: Base-Base interactions energy: -22.207 where: short stacking energy: -22.207 Base-Backbone interact. energy: -0.017 local terms energy: -33.689320 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -6.119 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: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -52.939421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.939421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.939421 (E_RNA) where: Base-Base interactions energy: -20.858 where: short stacking energy: -20.858 Base-Backbone interact. energy: -0.132 local terms energy: -31.949229 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -5.321 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: 6, replica: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -58.691095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.691095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.691095 (E_RNA) where: Base-Base interactions energy: -25.516 where: short stacking energy: -25.516 Base-Backbone interact. energy: -0.023 local terms energy: -33.151395 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -7.705 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -7.555 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: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -57.286017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.286017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.286017 (E_RNA) where: Base-Base interactions energy: -23.021 where: short stacking energy: -23.021 Base-Backbone interact. energy: -0.000 local terms energy: -34.264650 where: bonds (distance) C4'-P energy: -4.882 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -49.647490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.647490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.647490 (E_RNA) where: Base-Base interactions energy: -20.693 where: short stacking energy: -20.547 Base-Backbone interact. energy: -0.000 local terms energy: -28.954762 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -42.754377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.754377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.754377 (E_RNA) where: Base-Base interactions energy: -15.097 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.092 local terms energy: -27.566166 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -4.538 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: 10, replica: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -43.295890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.295890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.295890 (E_RNA) where: Base-Base interactions energy: -12.517 where: short stacking energy: -12.289 Base-Backbone interact. energy: -0.078 local terms energy: -30.700239 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -7.527 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -78.458766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.458766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.458766 (E_RNA) where: Base-Base interactions energy: -43.248 where: short stacking energy: -26.179 Base-Backbone interact. energy: -0.003 local terms energy: -35.207764 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -7.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -60.837830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.837830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.837830 (E_RNA) where: Base-Base interactions energy: -22.934 where: short stacking energy: -22.934 Base-Backbone interact. energy: -0.000 local terms energy: -37.903953 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -6.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -64.517101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.517101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.517101 (E_RNA) where: Base-Base interactions energy: -33.474 where: short stacking energy: -26.689 Base-Backbone interact. energy: -0.099 local terms energy: -30.944400 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -59.500450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.500450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.500450 (E_RNA) where: Base-Base interactions energy: -32.297 where: short stacking energy: -27.613 Base-Backbone interact. energy: -0.011 local terms energy: -27.192167 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -53.009922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.009922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.009922 (E_RNA) where: Base-Base interactions energy: -26.157 where: short stacking energy: -19.799 Base-Backbone interact. energy: -0.002 local terms energy: -26.851504 where: bonds (distance) C4'-P energy: -3.043 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -65.128162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.128162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.128162 (E_RNA) where: Base-Base interactions energy: -33.856 where: short stacking energy: -20.333 Base-Backbone interact. energy: -1.185 local terms energy: -30.086774 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -4.107 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: 7, replica: 7 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -41.553794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.553794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.553794 (E_RNA) where: Base-Base interactions energy: -10.635 where: short stacking energy: -10.635 Base-Backbone interact. energy: -0.069 local terms energy: -30.849463 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -7.441 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -7.100 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: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -39.637618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.637618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.637618 (E_RNA) where: Base-Base interactions energy: -12.956 where: short stacking energy: -13.956 Base-Backbone interact. energy: 0.282 local terms energy: -26.963294 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -50.493260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.493260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.493260 (E_RNA) where: Base-Base interactions energy: -22.807 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.112 local terms energy: -27.574476 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -1.183 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: 334 Temperature: 1.350000 Total energy: -47.965708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.965708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.965708 (E_RNA) where: Base-Base interactions energy: -19.105 where: short stacking energy: -19.105 Base-Backbone interact. energy: 0.326 local terms energy: -29.185889 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -3.912 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: 335 Temperature: 0.900000 Total energy: -73.081279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.081279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.081279 (E_RNA) where: Base-Base interactions energy: -38.230 where: short stacking energy: -28.500 Base-Backbone interact. energy: -0.001 local terms energy: -34.850299 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -69.862591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.862591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.862591 (E_RNA) where: Base-Base interactions energy: -33.860 where: short stacking energy: -27.001 Base-Backbone interact. energy: -0.100 local terms energy: -35.901810 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -5.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -54.312394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.312394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.312394 (E_RNA) where: Base-Base interactions energy: -21.478 where: short stacking energy: -21.478 Base-Backbone interact. energy: 0.097 local terms energy: -32.931474 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -4.796 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: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -78.973594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.973594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.973594 (E_RNA) where: Base-Base interactions energy: -45.885 where: short stacking energy: -25.532 Base-Backbone interact. energy: 0.755 local terms energy: -33.843675 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -57.128732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.128732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.128732 (E_RNA) where: Base-Base interactions energy: -27.958 where: short stacking energy: -18.491 Base-Backbone interact. energy: -0.002 local terms energy: -29.168951 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -5.526 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: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -45.313299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.313299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.313299 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.599 Base-Backbone interact. energy: -0.007 local terms energy: -32.662336 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -6.388 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: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -45.972466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.972466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.972466 (E_RNA) where: Base-Base interactions energy: -17.608 where: short stacking energy: -12.307 Base-Backbone interact. energy: -0.099 local terms energy: -28.265333 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -50.835931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.835931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.835931 (E_RNA) where: Base-Base interactions energy: -23.532 where: short stacking energy: -22.871 Base-Backbone interact. energy: -0.021 local terms energy: -27.283431 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -4.554 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: 9, replica: 8 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -48.156954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.156954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.156954 (E_RNA) where: Base-Base interactions energy: -17.466 where: short stacking energy: -17.466 Base-Backbone interact. energy: -0.013 local terms energy: -30.677627 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -1.714 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -8.017 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: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -42.995767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.995767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.995767 (E_RNA) where: Base-Base interactions energy: -18.808 where: short stacking energy: -18.808 Base-Backbone interact. energy: -0.085 local terms energy: -24.102651 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -60.289910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.289910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.289910 (E_RNA) where: Base-Base interactions energy: -31.915 where: short stacking energy: -7.940 Base-Backbone interact. energy: -0.262 local terms energy: -28.113637 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -7.609 flat angles P-C4'-P energy: -6.289 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: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -58.467162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.467162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.467162 (E_RNA) where: Base-Base interactions energy: -22.237 where: short stacking energy: -20.768 Base-Backbone interact. energy: -0.001 local terms energy: -36.229735 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -4.054 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: 9 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -75.618246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.618246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.618246 (E_RNA) where: Base-Base interactions energy: -37.268 where: short stacking energy: -23.821 Base-Backbone interact. energy: -0.001 local terms energy: -38.349006 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -6.334 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: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -57.942164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.942164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.942164 (E_RNA) where: Base-Base interactions energy: -26.978 where: short stacking energy: -26.978 Base-Backbone interact. energy: -0.059 local terms energy: -30.904593 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -4.191 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: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -49.637738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.637738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.637738 (E_RNA) where: Base-Base interactions energy: -25.424 where: short stacking energy: -25.424 Base-Backbone interact. energy: -0.049 local terms energy: -24.165201 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: 0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -60.612425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.612425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.612425 (E_RNA) where: Base-Base interactions energy: -39.642 where: short stacking energy: -15.750 Base-Backbone interact. energy: -0.154 local terms energy: -20.816540 where: bonds (distance) C4'-P energy: -5.530 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -3.164 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: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -42.919269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.919269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.919269 (E_RNA) where: Base-Base interactions energy: -21.239 where: short stacking energy: -15.906 Base-Backbone interact. energy: 0.666 local terms energy: -22.346278 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -4.626 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -1.404 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -47.883274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.883274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.883274 (E_RNA) where: Base-Base interactions energy: -15.826 where: short stacking energy: -15.826 Base-Backbone interact. energy: -0.048 local terms energy: -32.008942 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -37.784093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.784093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.784093 (E_RNA) where: Base-Base interactions energy: -11.483 where: short stacking energy: -11.483 Base-Backbone interact. energy: -0.004 local terms energy: -26.297458 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -6.437 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: 0.024 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -41.060806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.060806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.060806 (E_RNA) where: Base-Base interactions energy: -12.682 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.066 local terms energy: -28.312128 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -4.121 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: 1, replica: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -75.280801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.280801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.280801 (E_RNA) where: Base-Base interactions energy: -43.317 where: short stacking energy: -26.046 Base-Backbone interact. energy: -0.043 local terms energy: -31.920151 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -3.818 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: 9 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -70.506041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.506041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.506041 (E_RNA) where: Base-Base interactions energy: -37.228 where: short stacking energy: -19.873 Base-Backbone interact. energy: -0.019 local terms energy: -33.258999 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -7.532 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: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -54.443978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.443978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.443978 (E_RNA) where: Base-Base interactions energy: -28.768 where: short stacking energy: -28.351 Base-Backbone interact. energy: -0.079 local terms energy: -25.597389 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -2.602 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -5.250 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: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -53.362852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.362852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.362852 (E_RNA) where: Base-Base interactions energy: -23.813 where: short stacking energy: -22.250 Base-Backbone interact. energy: -0.669 local terms energy: -28.880843 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -4.362 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: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -47.416080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.416080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.416080 (E_RNA) where: Base-Base interactions energy: -18.668 where: short stacking energy: -18.668 Base-Backbone interact. energy: -0.099 local terms energy: -28.649153 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -50.107727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.107727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.107727 (E_RNA) where: Base-Base interactions energy: -22.428 where: short stacking energy: -18.787 Base-Backbone interact. energy: -0.002 local terms energy: -27.677717 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -6.212 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: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -49.707683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.707683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.707683 (E_RNA) where: Base-Base interactions energy: -28.504 where: short stacking energy: -16.860 Base-Backbone interact. energy: -0.115 local terms energy: -21.087806 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -1.192 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -2.933 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: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -42.326162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.326162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.326162 (E_RNA) where: Base-Base interactions energy: -15.052 where: short stacking energy: -15.052 Base-Backbone interact. energy: -0.190 local terms energy: -27.084048 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -0.682 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -45.145848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.145848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.145848 (E_RNA) where: Base-Base interactions energy: -15.741 where: short stacking energy: -15.741 Base-Backbone interact. energy: -0.049 local terms energy: -29.355330 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -44.431453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.431453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.431453 (E_RNA) where: Base-Base interactions energy: -16.130 where: short stacking energy: -16.130 Base-Backbone interact. energy: -0.002 local terms energy: -28.299459 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -5.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -83.160855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.160855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.160855 (E_RNA) where: Base-Base interactions energy: -44.964 where: short stacking energy: -27.747 Base-Backbone interact. energy: 0.150 local terms energy: -38.346577 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -5.409 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: 2, replica: 9 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -69.732777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.732777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.732777 (E_RNA) where: Base-Base interactions energy: -33.256 where: short stacking energy: -33.256 Base-Backbone interact. energy: -0.000 local terms energy: -36.476949 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -10.640 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: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -61.008874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.008874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.008874 (E_RNA) where: Base-Base interactions energy: -28.052 where: short stacking energy: -17.408 Base-Backbone interact. energy: -0.074 local terms energy: -32.883064 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -6.226 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: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -58.907645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.907645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.907645 (E_RNA) where: Base-Base interactions energy: -23.986 where: short stacking energy: -23.986 Base-Backbone interact. energy: -0.000 local terms energy: -34.921970 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.259 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -56.930118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.930118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.930118 (E_RNA) where: Base-Base interactions energy: -27.193 where: short stacking energy: -27.193 Base-Backbone interact. energy: -0.000 local terms energy: -29.736806 where: bonds (distance) C4'-P energy: -7.211 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -49.076944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.076944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.076944 (E_RNA) where: Base-Base interactions energy: -22.117 where: short stacking energy: -22.117 Base-Backbone interact. energy: -0.030 local terms energy: -26.929214 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.023 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: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -48.037651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.037651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.037651 (E_RNA) where: Base-Base interactions energy: -16.803 where: short stacking energy: -16.447 Base-Backbone interact. energy: -1.037 local terms energy: -30.197820 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -5.809 tors. eta vs tors. theta energy: -2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -44.933000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.933000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.933000 (E_RNA) where: Base-Base interactions energy: -14.256 where: short stacking energy: -14.256 Base-Backbone interact. energy: -0.007 local terms energy: -30.669861 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -4.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -44.127460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.127460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.127460 (E_RNA) where: Base-Base interactions energy: -16.810 where: short stacking energy: -16.810 Base-Backbone interact. energy: -0.083 local terms energy: -27.234332 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -3.880 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: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -41.452746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.452746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.452746 (E_RNA) where: Base-Base interactions energy: -23.985 where: short stacking energy: -16.080 Base-Backbone interact. energy: 0.572 local terms energy: -18.039220 where: bonds (distance) C4'-P energy: -5.472 bonds (distance) P-C4' energy: -6.910 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: 1.141 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: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -78.853879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.853879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.853879 (E_RNA) where: Base-Base interactions energy: -47.900 where: short stacking energy: -22.430 Base-Backbone interact. energy: -0.007 local terms energy: -30.946647 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -3.999 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: 2, replica: 9 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -68.830982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.830982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.830982 (E_RNA) where: Base-Base interactions energy: -31.663 where: short stacking energy: -23.996 Base-Backbone interact. energy: -0.000 local terms energy: -37.167330 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -3.867 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: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -63.063073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.063073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.063073 (E_RNA) where: Base-Base interactions energy: -27.649 where: short stacking energy: -27.649 Base-Backbone interact. energy: -0.016 local terms energy: -35.397913 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -66.185453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.185453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.185453 (E_RNA) where: Base-Base interactions energy: -35.324 where: short stacking energy: -16.211 Base-Backbone interact. energy: -0.006 local terms energy: -30.855220 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -56.786201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.786201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.786201 (E_RNA) where: Base-Base interactions energy: -21.480 where: short stacking energy: -21.480 Base-Backbone interact. energy: -0.079 local terms energy: -35.226312 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -6.764 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: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -61.632724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.632724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.632724 (E_RNA) where: Base-Base interactions energy: -30.688 where: short stacking energy: -16.953 Base-Backbone interact. energy: -0.001 local terms energy: -30.944545 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -49.138522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.138522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.138522 (E_RNA) where: Base-Base interactions energy: -22.171 where: short stacking energy: -22.171 Base-Backbone interact. energy: -0.002 local terms energy: -26.965233 where: bonds (distance) C4'-P energy: -0.083 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -5.228 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: 8, replica: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -48.865629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.865629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.865629 (E_RNA) where: Base-Base interactions energy: -17.934 where: short stacking energy: -17.934 Base-Backbone interact. energy: -0.001 local terms energy: -30.930368 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -4.373 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: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -46.676118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.676118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.676118 (E_RNA) where: Base-Base interactions energy: -17.907 where: short stacking energy: -17.907 Base-Backbone interact. energy: -0.001 local terms energy: -28.767249 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -41.983736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.983736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.983736 (E_RNA) where: Base-Base interactions energy: -14.688 where: short stacking energy: -14.688 Base-Backbone interact. energy: -0.107 local terms energy: -27.188888 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -1.450 tors. eta vs tors. theta energy: -2.419 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: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -68.889233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.889233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.889233 (E_RNA) where: Base-Base interactions energy: -30.490 where: short stacking energy: -30.490 Base-Backbone interact. energy: -0.097 local terms energy: -38.301494 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -9.519 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -9.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -67.928432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.928432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.928432 (E_RNA) where: Base-Base interactions energy: -32.823 where: short stacking energy: -27.525 Base-Backbone interact. energy: -0.003 local terms energy: -35.102930 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -7.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -59.481891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.481891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.481891 (E_RNA) where: Base-Base interactions energy: -22.673 where: short stacking energy: -19.799 Base-Backbone interact. energy: -0.000 local terms energy: -36.808527 where: bonds (distance) C4'-P energy: -6.764 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -7.189 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: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -53.585894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.585894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.585894 (E_RNA) where: Base-Base interactions energy: -24.094 where: short stacking energy: -24.094 Base-Backbone interact. energy: -0.075 local terms energy: -29.417677 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -8.693 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -50.760207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.760207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.760207 (E_RNA) where: Base-Base interactions energy: -16.865 where: short stacking energy: -16.121 Base-Backbone interact. energy: -0.048 local terms energy: -33.846502 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -4.056 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: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -54.263695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.263695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.263695 (E_RNA) where: Base-Base interactions energy: -23.127 where: short stacking energy: -16.160 Base-Backbone interact. energy: -0.673 local terms energy: -30.464176 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -49.035527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.035527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.035527 (E_RNA) where: Base-Base interactions energy: -19.490 where: short stacking energy: -18.825 Base-Backbone interact. energy: -0.730 local terms energy: -28.815674 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.806 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: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -43.129018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.129018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.129018 (E_RNA) where: Base-Base interactions energy: -16.930 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.448 local terms energy: -25.751261 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -4.728 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: 9, replica: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -40.169668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.169668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.169668 (E_RNA) where: Base-Base interactions energy: -13.757 where: short stacking energy: -13.567 Base-Backbone interact. energy: -0.836 local terms energy: -25.577357 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -0.941 flat angles P-C4'-P energy: -5.540 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: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -38.171645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.171645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.171645 (E_RNA) where: Base-Base interactions energy: -13.080 where: short stacking energy: -13.080 Base-Backbone interact. energy: -0.005 local terms energy: -25.086174 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -65.550121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.550121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.550121 (E_RNA) where: Base-Base interactions energy: -27.844 where: short stacking energy: -27.844 Base-Backbone interact. energy: -0.000 local terms energy: -37.705479 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -6.746 tors. eta vs tors. theta energy: -8.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -73.764333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.764333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.764333 (E_RNA) where: Base-Base interactions energy: -41.441 where: short stacking energy: -19.848 Base-Backbone interact. energy: -0.115 local terms energy: -32.208221 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -5.508 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -56.778904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.778904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.778904 (E_RNA) where: Base-Base interactions energy: -24.003 where: short stacking energy: -24.003 Base-Backbone interact. energy: -0.000 local terms energy: -32.775913 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -60.034691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.034691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.034691 (E_RNA) where: Base-Base interactions energy: -26.357 where: short stacking energy: -26.357 Base-Backbone interact. energy: -0.001 local terms energy: -33.676869 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -52.427433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.427433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.427433 (E_RNA) where: Base-Base interactions energy: -20.278 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.000 local terms energy: -32.148899 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -5.384 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -5.691 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: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -57.410997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.410997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.410997 (E_RNA) where: Base-Base interactions energy: -31.612 where: short stacking energy: -18.607 Base-Backbone interact. energy: -0.103 local terms energy: -25.696068 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -3.216 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: 7 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -53.244006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.244006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.244006 (E_RNA) where: Base-Base interactions energy: -23.297 where: short stacking energy: -23.297 Base-Backbone interact. energy: -0.000 local terms energy: -29.946983 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -2.977 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: 8, replica: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -48.863781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.863781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.863781 (E_RNA) where: Base-Base interactions energy: -21.934 where: short stacking energy: -19.649 Base-Backbone interact. energy: -0.006 local terms energy: -26.924092 where: bonds (distance) C4'-P energy: -4.681 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.398 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: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -41.334878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.334878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.334878 (E_RNA) where: Base-Base interactions energy: -13.390 where: short stacking energy: -13.390 Base-Backbone interact. energy: -0.023 local terms energy: -27.921981 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -42.541849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.541849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.541849 (E_RNA) where: Base-Base interactions energy: -14.996 where: short stacking energy: -14.996 Base-Backbone interact. energy: -0.195 local terms energy: -27.350670 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -6.519 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: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -79.573615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.573615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.573615 (E_RNA) where: Base-Base interactions energy: -43.153 where: short stacking energy: -26.279 Base-Backbone interact. energy: -0.160 local terms energy: -36.260597 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -57.286348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.286348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.286348 (E_RNA) where: Base-Base interactions energy: -25.146 where: short stacking energy: -25.146 Base-Backbone interact. energy: -0.036 local terms energy: -32.104302 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -56.625776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.625776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.625776 (E_RNA) where: Base-Base interactions energy: -22.972 where: short stacking energy: -21.648 Base-Backbone interact. energy: -0.007 local terms energy: -33.646847 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -5.617 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: 4, replica: 6 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -48.841732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.841732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.841732 (E_RNA) where: Base-Base interactions energy: -16.380 where: short stacking energy: -16.380 Base-Backbone interact. energy: -0.006 local terms energy: -32.456102 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -51.232222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.232222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.232222 (E_RNA) where: Base-Base interactions energy: -21.197 where: short stacking energy: -21.197 Base-Backbone interact. energy: -0.006 local terms energy: -30.028597 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -43.733873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.733873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.733873 (E_RNA) where: Base-Base interactions energy: -12.528 where: short stacking energy: -12.528 Base-Backbone interact. energy: -0.037 local terms energy: -31.169669 where: bonds (distance) C4'-P energy: -6.756 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -47.859636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.859636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.859636 (E_RNA) where: Base-Base interactions energy: -16.742 where: short stacking energy: -16.742 Base-Backbone interact. energy: -0.024 local terms energy: -31.093316 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -5.706 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: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -39.910951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.910951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.910951 (E_RNA) where: Base-Base interactions energy: -13.643 where: short stacking energy: -12.233 Base-Backbone interact. energy: -0.098 local terms energy: -26.170171 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -7.786 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -7.290 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: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -54.598133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.598133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.598133 (E_RNA) where: Base-Base interactions energy: -24.832 where: short stacking energy: -24.832 Base-Backbone interact. energy: -0.019 local terms energy: -29.747746 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.028 flat angles C4'-P-C4' energy: -9.125 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -47.096360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.096360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.096360 (E_RNA) where: Base-Base interactions energy: -18.508 where: short stacking energy: -17.334 Base-Backbone interact. energy: 1.342 local terms energy: -29.930491 where: bonds (distance) C4'-P energy: -2.467 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -8.901 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -70.152159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.152159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.152159 (E_RNA) where: Base-Base interactions energy: -36.961 where: short stacking energy: -30.856 Base-Backbone interact. energy: -0.002 local terms energy: -33.189338 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.238 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -6.012 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: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -71.476762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.476762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.476762 (E_RNA) where: Base-Base interactions energy: -34.740 where: short stacking energy: -34.740 Base-Backbone interact. energy: -0.000 local terms energy: -36.736400 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -9.979 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: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -53.880962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.880962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.880962 (E_RNA) where: Base-Base interactions energy: -21.106 where: short stacking energy: -21.106 Base-Backbone interact. energy: -0.002 local terms energy: -32.772377 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.162 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -62.710677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.710677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.710677 (E_RNA) where: Base-Base interactions energy: -30.327 where: short stacking energy: -22.593 Base-Backbone interact. energy: -0.011 local terms energy: -32.372734 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -9.102 flat angles P-C4'-P energy: -2.900 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: 5, replica: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -52.193055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.193055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.193055 (E_RNA) where: Base-Base interactions energy: -20.647 where: short stacking energy: -20.647 Base-Backbone interact. energy: -0.001 local terms energy: -31.545074 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -1.191 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -48.041623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.041623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.041623 (E_RNA) where: Base-Base interactions energy: -15.672 where: short stacking energy: -15.672 Base-Backbone interact. energy: -0.004 local terms energy: -32.365697 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -53.486363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.486363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.486363 (E_RNA) where: Base-Base interactions energy: -23.574 where: short stacking energy: -23.574 Base-Backbone interact. energy: -0.000 local terms energy: -29.912265 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -3.647 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: 8, replica: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -40.336659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.336659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.336659 (E_RNA) where: Base-Base interactions energy: -14.986 where: short stacking energy: -11.793 Base-Backbone interact. energy: -0.010 local terms energy: -25.340101 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -47.307042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.307042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.307042 (E_RNA) where: Base-Base interactions energy: -17.903 where: short stacking energy: -15.734 Base-Backbone interact. energy: -0.036 local terms energy: -29.367211 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -4.257 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: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -45.987862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.987862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.987862 (E_RNA) where: Base-Base interactions energy: -14.185 where: short stacking energy: -14.185 Base-Backbone interact. energy: -0.189 local terms energy: -31.614040 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -59.803813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.803813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.803813 (E_RNA) where: Base-Base interactions energy: -23.852 where: short stacking energy: -23.617 Base-Backbone interact. energy: -0.017 local terms energy: -35.935357 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -5.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -75.286196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.286196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.286196 (E_RNA) where: Base-Base interactions energy: -34.442 where: short stacking energy: -33.858 Base-Backbone interact. energy: -0.000 local terms energy: -40.844337 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -58.889324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.889324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.889324 (E_RNA) where: Base-Base interactions energy: -28.457 where: short stacking energy: -20.141 Base-Backbone interact. energy: -0.002 local terms energy: -30.430139 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -5.137 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: 4, replica: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -61.448447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.448447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.448447 (E_RNA) where: Base-Base interactions energy: -28.603 where: short stacking energy: -16.704 Base-Backbone interact. energy: -0.132 local terms energy: -32.713851 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -51.550618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.550618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.550618 (E_RNA) where: Base-Base interactions energy: -18.932 where: short stacking energy: -18.932 Base-Backbone interact. energy: -0.001 local terms energy: -32.617089 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -53.400719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.400719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.400719 (E_RNA) where: Base-Base interactions energy: -29.706 where: short stacking energy: -19.646 Base-Backbone interact. energy: -0.042 local terms energy: -23.652116 where: bonds (distance) C4'-P energy: -7.166 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -3.127 flat angles P-C4'-P energy: 0.020 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -44.766095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.766095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.766095 (E_RNA) where: Base-Base interactions energy: -19.973 where: short stacking energy: -16.514 Base-Backbone interact. energy: 1.841 local terms energy: -26.634763 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -2.856 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: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -47.059038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.059038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.059038 (E_RNA) where: Base-Base interactions energy: -17.628 where: short stacking energy: -14.761 Base-Backbone interact. energy: -0.120 local terms energy: -29.311531 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -3.988 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: 9, replica: 3 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -44.723679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.723679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.723679 (E_RNA) where: Base-Base interactions energy: -22.132 where: short stacking energy: -20.420 Base-Backbone interact. energy: -0.043 local terms energy: -22.548382 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -1.203 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -46.762454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.762454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.762454 (E_RNA) where: Base-Base interactions energy: -12.986 where: short stacking energy: -11.852 Base-Backbone interact. energy: -0.220 local terms energy: -33.557026 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -6.924 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: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -71.786395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.786395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.786395 (E_RNA) where: Base-Base interactions energy: -35.167 where: short stacking energy: -35.167 Base-Backbone interact. energy: -0.009 local terms energy: -36.610549 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: -7.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -61.214223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.214223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.214223 (E_RNA) where: Base-Base interactions energy: -26.449 where: short stacking energy: -26.449 Base-Backbone interact. energy: -0.001 local terms energy: -34.764053 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -59.988107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.988107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.988107 (E_RNA) where: Base-Base interactions energy: -25.860 where: short stacking energy: -25.860 Base-Backbone interact. energy: -0.001 local terms energy: -34.126432 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -7.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -52.963866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.963866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.963866 (E_RNA) where: Base-Base interactions energy: -23.766 where: short stacking energy: -16.175 Base-Backbone interact. energy: 0.085 local terms energy: -29.282377 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -54.558807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.558807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.558807 (E_RNA) where: Base-Base interactions energy: -25.227 where: short stacking energy: -25.227 Base-Backbone interact. energy: -0.058 local terms energy: -29.273967 where: bonds (distance) C4'-P energy: -5.948 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -51.627637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.627637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.627637 (E_RNA) where: Base-Base interactions energy: -22.577 where: short stacking energy: -21.250 Base-Backbone interact. energy: -0.018 local terms energy: -29.031953 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -51.508533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.508533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.508533 (E_RNA) where: Base-Base interactions energy: -19.943 where: short stacking energy: -19.943 Base-Backbone interact. energy: -0.025 local terms energy: -31.540674 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -44.736935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.736935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.736935 (E_RNA) where: Base-Base interactions energy: -14.270 where: short stacking energy: -14.270 Base-Backbone interact. energy: -0.046 local terms energy: -30.420771 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.162 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: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -48.723039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.723039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.723039 (E_RNA) where: Base-Base interactions energy: -24.066 where: short stacking energy: -24.066 Base-Backbone interact. energy: -0.001 local terms energy: -24.656790 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -4.239 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -42.559972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.559972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.559972 (E_RNA) where: Base-Base interactions energy: -12.766 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.000 local terms energy: -29.793425 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -9.261 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -0.819 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: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -72.604167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.604167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.604167 (E_RNA) where: Base-Base interactions energy: -41.238 where: short stacking energy: -20.204 Base-Backbone interact. energy: -1.429 local terms energy: -29.937230 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -61.401227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.401227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.401227 (E_RNA) where: Base-Base interactions energy: -26.686 where: short stacking energy: -26.686 Base-Backbone interact. energy: -0.002 local terms energy: -34.713472 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -52.363302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.363302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.363302 (E_RNA) where: Base-Base interactions energy: -17.788 where: short stacking energy: -17.788 Base-Backbone interact. energy: -0.112 local terms energy: -34.462432 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -63.484374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.484374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.484374 (E_RNA) where: Base-Base interactions energy: -31.403 where: short stacking energy: -24.591 Base-Backbone interact. energy: -0.056 local terms energy: -32.025334 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -5.531 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: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -48.994060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.994060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.994060 (E_RNA) where: Base-Base interactions energy: -19.554 where: short stacking energy: -17.356 Base-Backbone interact. energy: -0.006 local terms energy: -29.434913 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -5.321 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: 6, replica: 10 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -52.172356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.172356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.172356 (E_RNA) where: Base-Base interactions energy: -25.637 where: short stacking energy: -15.814 Base-Backbone interact. energy: -0.019 local terms energy: -26.517011 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: 0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -49.046005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.046005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.046005 (E_RNA) where: Base-Base interactions energy: -24.105 where: short stacking energy: -15.548 Base-Backbone interact. energy: -0.001 local terms energy: -24.940389 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -5.823 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -3.804 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: 8, replica: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -43.193689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.193689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.193689 (E_RNA) where: Base-Base interactions energy: -16.515 where: short stacking energy: -16.237 Base-Backbone interact. energy: -0.099 local terms energy: -26.579303 where: bonds (distance) C4'-P energy: -5.621 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -5.104 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: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -51.723862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.723862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.723862 (E_RNA) where: Base-Base interactions energy: -17.494 where: short stacking energy: -17.494 Base-Backbone interact. energy: -0.025 local terms energy: -34.204566 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -5.847 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: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -39.360442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.360442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.360442 (E_RNA) where: Base-Base interactions energy: -12.195 where: short stacking energy: -12.195 Base-Backbone interact. energy: -0.025 local terms energy: -27.140465 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: 0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -76.938601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.938601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.938601 (E_RNA) where: Base-Base interactions energy: -42.829 where: short stacking energy: -20.554 Base-Backbone interact. energy: -0.033 local terms energy: -34.076795 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -6.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -61.057271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.057271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.057271 (E_RNA) where: Base-Base interactions energy: -27.534 where: short stacking energy: -27.534 Base-Backbone interact. energy: -0.002 local terms energy: -33.521371 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -5.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -60.318911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.318911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.318911 (E_RNA) where: Base-Base interactions energy: -23.065 where: short stacking energy: -23.065 Base-Backbone interact. energy: -0.000 local terms energy: -37.253291 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -5.539 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: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -53.749892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.749892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.749892 (E_RNA) where: Base-Base interactions energy: -22.273 where: short stacking energy: -20.313 Base-Backbone interact. energy: -0.017 local terms energy: -31.459613 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -2.852 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: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -53.840453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.840453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.840453 (E_RNA) where: Base-Base interactions energy: -24.746 where: short stacking energy: -22.114 Base-Backbone interact. energy: -0.003 local terms energy: -29.092114 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -3.950 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: 6, replica: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -60.669502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.669502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.669502 (E_RNA) where: Base-Base interactions energy: -29.053 where: short stacking energy: -28.919 Base-Backbone interact. energy: -0.000 local terms energy: -31.616064 where: bonds (distance) C4'-P energy: -3.448 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -8.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -49.301588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.301588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.301588 (E_RNA) where: Base-Base interactions energy: -18.626 where: short stacking energy: -15.184 Base-Backbone interact. energy: -0.022 local terms energy: -30.654118 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -46.213176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.213176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.213176 (E_RNA) where: Base-Base interactions energy: -17.577 where: short stacking energy: -17.577 Base-Backbone interact. energy: -0.007 local terms energy: -28.628668 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: 0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -50.025230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.025230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.025230 (E_RNA) where: Base-Base interactions energy: -22.050 where: short stacking energy: -18.374 Base-Backbone interact. energy: -0.002 local terms energy: -27.973344 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -6.704 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -41.124693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.124693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.124693 (E_RNA) where: Base-Base interactions energy: -12.078 where: short stacking energy: -12.078 Base-Backbone interact. energy: -0.061 local terms energy: -28.985728 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -3.591 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: 1, replica: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -79.288065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.288065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.288065 (E_RNA) where: Base-Base interactions energy: -44.628 where: short stacking energy: -26.988 Base-Backbone interact. energy: -0.002 local terms energy: -34.658630 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -7.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -59.688421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.688421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.688421 (E_RNA) where: Base-Base interactions energy: -26.488 where: short stacking energy: -26.488 Base-Backbone interact. energy: -0.002 local terms energy: -33.198141 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -5.838 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -5.470 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: 3, replica: 2 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -63.979779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.979779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.979779 (E_RNA) where: Base-Base interactions energy: -29.717 where: short stacking energy: -29.717 Base-Backbone interact. energy: -0.550 local terms energy: -33.713216 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -5.810 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: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -61.034342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.034342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.034342 (E_RNA) where: Base-Base interactions energy: -25.209 where: short stacking energy: -25.209 Base-Backbone interact. energy: -0.035 local terms energy: -35.791274 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.286 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -5.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -59.552057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.552057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.552057 (E_RNA) where: Base-Base interactions energy: -26.536 where: short stacking energy: -26.536 Base-Backbone interact. energy: -0.000 local terms energy: -33.016378 where: bonds (distance) C4'-P energy: -5.262 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -5.405 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: 6, replica: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -47.605947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.605947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.605947 (E_RNA) where: Base-Base interactions energy: -18.556 where: short stacking energy: -15.053 Base-Backbone interact. energy: -0.803 local terms energy: -28.247147 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -46.708760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.708760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.708760 (E_RNA) where: Base-Base interactions energy: -17.335 where: short stacking energy: -17.335 Base-Backbone interact. energy: -0.001 local terms energy: -29.372386 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -47.576824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.576824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.576824 (E_RNA) where: Base-Base interactions energy: -19.476 where: short stacking energy: -19.476 Base-Backbone interact. energy: -0.002 local terms energy: -28.098174 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.825 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: 9, replica: 8 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -51.803706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.803706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.803706 (E_RNA) where: Base-Base interactions energy: -24.458 where: short stacking energy: -24.458 Base-Backbone interact. energy: -0.045 local terms energy: -27.300146 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -5.005 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -39.477922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.477922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.477922 (E_RNA) where: Base-Base interactions energy: -14.983 where: short stacking energy: -14.983 Base-Backbone interact. energy: 0.470 local terms energy: -24.965022 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -73.359378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.359378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.359378 (E_RNA) where: Base-Base interactions energy: -37.455 where: short stacking energy: -32.636 Base-Backbone interact. energy: -0.004 local terms energy: -35.900370 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -8.184 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: 2, replica: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -59.112608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.112608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.112608 (E_RNA) where: Base-Base interactions energy: -25.937 where: short stacking energy: -25.937 Base-Backbone interact. energy: -0.002 local terms energy: -33.173873 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.342 flat angles C4'-P-C4' energy: -2.965 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -9.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -56.002384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.002384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.002384 (E_RNA) where: Base-Base interactions energy: -28.430 where: short stacking energy: -25.192 Base-Backbone interact. energy: -0.000 local terms energy: -27.572050 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -3.365 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -8.000 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: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -66.183552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.183552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.183552 (E_RNA) where: Base-Base interactions energy: -32.247 where: short stacking energy: -32.247 Base-Backbone interact. energy: -0.001 local terms energy: -33.936133 where: bonds (distance) C4'-P energy: -6.138 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -6.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -55.104551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.104551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.104551 (E_RNA) where: Base-Base interactions energy: -23.257 where: short stacking energy: -23.257 Base-Backbone interact. energy: -0.050 local terms energy: -31.797321 where: bonds (distance) C4'-P energy: -5.452 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -48.551026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.551026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.551026 (E_RNA) where: Base-Base interactions energy: -20.228 where: short stacking energy: -12.837 Base-Backbone interact. energy: -0.091 local terms energy: -28.232526 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -47.171339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.171339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.171339 (E_RNA) where: Base-Base interactions energy: -13.671 where: short stacking energy: -13.671 Base-Backbone interact. energy: -0.006 local terms energy: -33.494160 where: bonds (distance) C4'-P energy: -5.745 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -5.859 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: 8, replica: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -49.307052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.307052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.307052 (E_RNA) where: Base-Base interactions energy: -20.138 where: short stacking energy: -19.024 Base-Backbone interact. energy: -0.000 local terms energy: -29.168492 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -3.794 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: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -36.529382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.529382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.529382 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.023 local terms energy: -23.708806 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -4.680 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: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -41.627301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.627301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.627301 (E_RNA) where: Base-Base interactions energy: -14.040 where: short stacking energy: -14.040 Base-Backbone interact. energy: -0.006 local terms energy: -27.581450 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -4.312 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: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -59.730377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.730377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.730377 (E_RNA) where: Base-Base interactions energy: -24.718 where: short stacking energy: -24.718 Base-Backbone interact. energy: -0.098 local terms energy: -34.914656 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.216 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -5.097 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: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -65.767070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.767070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.767070 (E_RNA) where: Base-Base interactions energy: -28.247 where: short stacking energy: -28.247 Base-Backbone interact. energy: -0.022 local terms energy: -37.498375 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -7.644 tors. eta vs tors. theta energy: -6.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -64.267123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.267123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.267123 (E_RNA) where: Base-Base interactions energy: -30.297 where: short stacking energy: -24.691 Base-Backbone interact. energy: -0.000 local terms energy: -33.970483 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -56.746945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.746945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.746945 (E_RNA) where: Base-Base interactions energy: -27.895 where: short stacking energy: -13.158 Base-Backbone interact. energy: -0.005 local terms energy: -28.846923 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -57.934542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.934542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.934542 (E_RNA) where: Base-Base interactions energy: -25.832 where: short stacking energy: -25.832 Base-Backbone interact. energy: -0.003 local terms energy: -32.099297 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -8.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -54.029818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.029818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.029818 (E_RNA) where: Base-Base interactions energy: -18.030 where: short stacking energy: -18.030 Base-Backbone interact. energy: -0.003 local terms energy: -35.996811 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.496 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -7.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -44.967766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.967766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.967766 (E_RNA) where: Base-Base interactions energy: -17.502 where: short stacking energy: -16.893 Base-Backbone interact. energy: -0.015 local terms energy: -27.450400 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -43.619828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.619828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.619828 (E_RNA) where: Base-Base interactions energy: -14.692 where: short stacking energy: -14.244 Base-Backbone interact. energy: -0.023 local terms energy: -28.904672 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -5.582 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: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -40.989878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.989878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.989878 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.438 local terms energy: -28.521098 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -4.970 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -53.659563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.659563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.659563 (E_RNA) where: Base-Base interactions energy: -24.038 where: short stacking energy: -19.641 Base-Backbone interact. energy: -0.004 local terms energy: -29.617841 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -2.749 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: 1, replica: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -64.043866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.043866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.043866 (E_RNA) where: Base-Base interactions energy: -27.780 where: short stacking energy: -27.780 Base-Backbone interact. energy: -0.000 local terms energy: -36.264102 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -65.092873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.092873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.092873 (E_RNA) where: Base-Base interactions energy: -35.665 where: short stacking energy: -25.131 Base-Backbone interact. energy: -0.004 local terms energy: -29.423458 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -4.861 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: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -61.598595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.598595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.598595 (E_RNA) where: Base-Base interactions energy: -28.069 where: short stacking energy: -28.069 Base-Backbone interact. energy: -0.000 local terms energy: -33.529750 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -8.868 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -54.885152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.885152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.885152 (E_RNA) where: Base-Base interactions energy: -22.360 where: short stacking energy: -22.360 Base-Backbone interact. energy: -0.000 local terms energy: -32.525105 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -1.895 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -59.711492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711492 (E_RNA) where: Base-Base interactions energy: -31.656 where: short stacking energy: -21.404 Base-Backbone interact. energy: -0.114 local terms energy: -27.941722 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -47.235822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.235822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.235822 (E_RNA) where: Base-Base interactions energy: -18.827 where: short stacking energy: -18.827 Base-Backbone interact. energy: -0.001 local terms energy: -28.408550 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -54.331844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.331844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.331844 (E_RNA) where: Base-Base interactions energy: -21.288 where: short stacking energy: -20.167 Base-Backbone interact. energy: -0.009 local terms energy: -33.034075 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -6.252 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: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -44.070912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.070912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.070912 (E_RNA) where: Base-Base interactions energy: -15.247 where: short stacking energy: -15.247 Base-Backbone interact. energy: -0.001 local terms energy: -28.823769 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -1.791 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -41.966749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.966749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.966749 (E_RNA) where: Base-Base interactions energy: -15.968 where: short stacking energy: -15.968 Base-Backbone interact. energy: -0.001 local terms energy: -25.997901 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -2.093 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: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -40.697699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.697699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.697699 (E_RNA) where: Base-Base interactions energy: -13.630 where: short stacking energy: -13.630 Base-Backbone interact. energy: -0.003 local terms energy: -27.064886 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -3.167 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: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -75.148440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.148440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.148440 (E_RNA) where: Base-Base interactions energy: -43.569 where: short stacking energy: -27.228 Base-Backbone interact. energy: 0.224 local terms energy: -31.803258 where: bonds (distance) C4'-P energy: -5.629 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -5.207 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: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -63.895882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.895882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.895882 (E_RNA) where: Base-Base interactions energy: -29.347 where: short stacking energy: -21.647 Base-Backbone interact. energy: -0.001 local terms energy: -34.547969 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.870 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -7.228 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: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -55.152235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.152235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.152235 (E_RNA) where: Base-Base interactions energy: -21.633 where: short stacking energy: -21.633 Base-Backbone interact. energy: -0.001 local terms energy: -33.518579 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -6.440 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: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -56.040670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.040670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.040670 (E_RNA) where: Base-Base interactions energy: -24.392 where: short stacking energy: -24.392 Base-Backbone interact. energy: -0.000 local terms energy: -31.648678 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.131 flat angles C4'-P-C4' energy: -6.561 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -68.090859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.090859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.090859 (E_RNA) where: Base-Base interactions energy: -30.143 where: short stacking energy: -30.143 Base-Backbone interact. energy: -0.000 local terms energy: -37.947431 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -9.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -47.160096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.160096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.160096 (E_RNA) where: Base-Base interactions energy: -19.307 where: short stacking energy: -16.005 Base-Backbone interact. energy: -0.041 local terms energy: -27.811657 where: bonds (distance) C4'-P energy: -6.855 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -1.582 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: 352 Temperature: 1.200000 Total energy: -48.119019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.119019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.119019 (E_RNA) where: Base-Base interactions energy: -19.643 where: short stacking energy: -13.596 Base-Backbone interact. energy: -0.003 local terms energy: -28.472852 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -42.680443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.680443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.680443 (E_RNA) where: Base-Base interactions energy: -24.217 where: short stacking energy: -11.157 Base-Backbone interact. energy: 0.773 local terms energy: -19.235891 where: bonds (distance) C4'-P energy: -2.230 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -3.233 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: 0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -44.891525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.891525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.891525 (E_RNA) where: Base-Base interactions energy: -21.360 where: short stacking energy: -20.590 Base-Backbone interact. energy: -0.120 local terms energy: -23.412294 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -4.081 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -42.964111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.964111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.964111 (E_RNA) where: Base-Base interactions energy: -11.144 where: short stacking energy: -9.422 Base-Backbone interact. energy: -0.738 local terms energy: -31.082165 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -75.012817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.012817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.012817 (E_RNA) where: Base-Base interactions energy: -38.647 where: short stacking energy: -28.791 Base-Backbone interact. energy: -0.362 local terms energy: -36.003384 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -7.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -60.192168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.192168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.192168 (E_RNA) where: Base-Base interactions energy: -25.399 where: short stacking energy: -25.399 Base-Backbone interact. energy: -0.000 local terms energy: -34.792878 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -5.661 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: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -50.275267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.275267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.275267 (E_RNA) where: Base-Base interactions energy: -16.014 where: short stacking energy: -16.014 Base-Backbone interact. energy: -0.007 local terms energy: -34.254970 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -64.668521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.668521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.668521 (E_RNA) where: Base-Base interactions energy: -28.195 where: short stacking energy: -22.649 Base-Backbone interact. energy: -0.000 local terms energy: -36.473005 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -6.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -52.444601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.444601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.444601 (E_RNA) where: Base-Base interactions energy: -20.162 where: short stacking energy: -20.162 Base-Backbone interact. energy: -0.099 local terms energy: -32.183828 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -61.542706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.542706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.542706 (E_RNA) where: Base-Base interactions energy: -32.817 where: short stacking energy: -16.002 Base-Backbone interact. energy: -2.762 local terms energy: -25.963760 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -48.396485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.396485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.396485 (E_RNA) where: Base-Base interactions energy: -15.237 where: short stacking energy: -15.237 Base-Backbone interact. energy: -0.003 local terms energy: -33.155878 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -44.549356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.549356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.549356 (E_RNA) where: Base-Base interactions energy: -12.802 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.001 local terms energy: -31.745610 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -44.978897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.978897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.978897 (E_RNA) where: Base-Base interactions energy: -14.527 where: short stacking energy: -14.527 Base-Backbone interact. energy: -0.000 local terms energy: -30.451613 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -3.418 flat angles P-C4'-P energy: -3.691 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: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -50.524870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.524870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.524870 (E_RNA) where: Base-Base interactions energy: -25.037 where: short stacking energy: -25.037 Base-Backbone interact. energy: -0.102 local terms energy: -25.385964 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: 0.521 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -71.338268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.338268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.338268 (E_RNA) where: Base-Base interactions energy: -32.787 where: short stacking energy: -28.573 Base-Backbone interact. energy: -0.011 local terms energy: -38.540269 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -9.534 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: 2, replica: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -68.731375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.731375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.731375 (E_RNA) where: Base-Base interactions energy: -28.543 where: short stacking energy: -28.543 Base-Backbone interact. energy: -0.071 local terms energy: -40.117299 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.768 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -8.966 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: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -53.752777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.752777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.752777 (E_RNA) where: Base-Base interactions energy: -20.303 where: short stacking energy: -20.303 Base-Backbone interact. energy: -0.002 local terms energy: -33.448004 where: bonds (distance) C4'-P energy: -6.073 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -4.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -57.305354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.305354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.305354 (E_RNA) where: Base-Base interactions energy: -19.996 where: short stacking energy: -19.996 Base-Backbone interact. energy: -0.000 local terms energy: -37.309186 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -5.321 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: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -65.390710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.390710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.390710 (E_RNA) where: Base-Base interactions energy: -29.661 where: short stacking energy: -29.661 Base-Backbone interact. energy: -0.000 local terms energy: -35.729405 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -11.112 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: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -50.352605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.352605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.352605 (E_RNA) where: Base-Base interactions energy: -18.634 where: short stacking energy: -18.634 Base-Backbone interact. energy: -0.024 local terms energy: -31.694407 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -5.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -47.071447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.071447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.071447 (E_RNA) where: Base-Base interactions energy: -19.999 where: short stacking energy: -18.164 Base-Backbone interact. energy: -0.025 local terms energy: -27.047291 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -9.128 flat angles P-C4'-P energy: -0.668 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -47.999795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.999795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.999795 (E_RNA) where: Base-Base interactions energy: -24.344 where: short stacking energy: -14.526 Base-Backbone interact. energy: -0.064 local terms energy: -23.591830 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -43.933184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.933184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.933184 (E_RNA) where: Base-Base interactions energy: -17.352 where: short stacking energy: -10.323 Base-Backbone interact. energy: 0.866 local terms energy: -27.446696 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -5.760 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: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -44.581614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.581614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.581614 (E_RNA) where: Base-Base interactions energy: -12.629 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.001 local terms energy: -31.951449 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -4.446 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: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -62.035182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.035182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.035182 (E_RNA) where: Base-Base interactions energy: -25.651 where: short stacking energy: -25.651 Base-Backbone interact. energy: -0.000 local terms energy: -36.383604 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -56.114002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.114002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.114002 (E_RNA) where: Base-Base interactions energy: -23.672 where: short stacking energy: -23.672 Base-Backbone interact. energy: -0.007 local terms energy: -32.435497 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -4.173 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: 3, replica: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -54.430453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.430453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.430453 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -17.129 Base-Backbone interact. energy: -0.016 local terms energy: -33.847245 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -2.696 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: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -46.758304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.758304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.758304 (E_RNA) where: Base-Base interactions energy: -15.137 where: short stacking energy: -15.137 Base-Backbone interact. energy: -0.000 local terms energy: -31.621230 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -4.559 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: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -50.103574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.103574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.103574 (E_RNA) where: Base-Base interactions energy: -22.700 where: short stacking energy: -13.061 Base-Backbone interact. energy: -0.120 local terms energy: -27.283926 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -5.228 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: 6, replica: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -46.839622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.839622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.839622 (E_RNA) where: Base-Base interactions energy: -22.216 where: short stacking energy: -18.562 Base-Backbone interact. energy: -0.002 local terms energy: -24.621897 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -44.046727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.046727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.046727 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.012 local terms energy: -32.280821 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -6.303 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: 8, replica: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -55.255445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.255445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.255445 (E_RNA) where: Base-Base interactions energy: -26.053 where: short stacking energy: -19.605 Base-Backbone interact. energy: -0.003 local terms energy: -29.200076 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -5.610 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: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -48.872738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.872738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.872738 (E_RNA) where: Base-Base interactions energy: -21.562 where: short stacking energy: -14.819 Base-Backbone interact. energy: -0.017 local terms energy: -27.293855 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.852 flat angles C4'-P-C4' energy: -7.990 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: 0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -42.091511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.091511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.091511 (E_RNA) where: Base-Base interactions energy: -16.557 where: short stacking energy: -16.557 Base-Backbone interact. energy: -0.008 local terms energy: -25.526165 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -57.661732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.661732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.661732 (E_RNA) where: Base-Base interactions energy: -25.887 where: short stacking energy: -25.887 Base-Backbone interact. energy: -0.000 local terms energy: -31.774786 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.403 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: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -67.106263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.106263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.106263 (E_RNA) where: Base-Base interactions energy: -27.829 where: short stacking energy: -27.829 Base-Backbone interact. energy: -0.000 local terms energy: -39.277036 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -9.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -52.688725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.688725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.688725 (E_RNA) where: Base-Base interactions energy: -20.016 where: short stacking energy: -20.016 Base-Backbone interact. energy: -0.000 local terms energy: -32.672977 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -3.544 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: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -57.665651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.665651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.665651 (E_RNA) where: Base-Base interactions energy: -23.577 where: short stacking energy: -23.577 Base-Backbone interact. energy: -0.002 local terms energy: -34.087004 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -4.827 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: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -56.527899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.527899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.527899 (E_RNA) where: Base-Base interactions energy: -25.536 where: short stacking energy: -25.536 Base-Backbone interact. energy: -0.000 local terms energy: -30.991467 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -5.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -61.314830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.314830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.314830 (E_RNA) where: Base-Base interactions energy: -26.578 where: short stacking energy: -26.578 Base-Backbone interact. energy: -0.000 local terms energy: -34.736944 where: bonds (distance) C4'-P energy: -7.368 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -49.240619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.240619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.240619 (E_RNA) where: Base-Base interactions energy: -20.801 where: short stacking energy: -16.737 Base-Backbone interact. energy: -0.173 local terms energy: -28.265948 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -50.408265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.408265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.408265 (E_RNA) where: Base-Base interactions energy: -24.611 where: short stacking energy: -16.250 Base-Backbone interact. energy: -0.028 local terms energy: -25.768891 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -4.996 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -6.110 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: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -43.446354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.446354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.446354 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: 0.113 local terms energy: -26.647933 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -0.975 tors. eta vs tors. theta energy: -6.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -36.592702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.592702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.592702 (E_RNA) where: Base-Base interactions energy: -8.073 where: short stacking energy: -6.210 Base-Backbone interact. energy: -0.040 local terms energy: -28.479849 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -3.554 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: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -69.813799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.813799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.813799 (E_RNA) where: Base-Base interactions energy: -30.898 where: short stacking energy: -30.898 Base-Backbone interact. energy: -0.007 local terms energy: -38.909352 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -9.158 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: 357 Temperature: 0.950000 Total energy: -66.932013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.932013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.932013 (E_RNA) where: Base-Base interactions energy: -32.575 where: short stacking energy: -28.002 Base-Backbone interact. energy: -0.000 local terms energy: -34.357014 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -7.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -60.266910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.266910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.266910 (E_RNA) where: Base-Base interactions energy: -26.924 where: short stacking energy: -23.852 Base-Backbone interact. energy: -0.024 local terms energy: -33.318758 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -3.957 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: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -56.443864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.443864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.443864 (E_RNA) where: Base-Base interactions energy: -20.839 where: short stacking energy: -18.156 Base-Backbone interact. energy: -0.000 local terms energy: -35.604385 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -7.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -52.420908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.420908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.420908 (E_RNA) where: Base-Base interactions energy: -21.517 where: short stacking energy: -21.517 Base-Backbone interact. energy: -0.054 local terms energy: -30.849600 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -47.298978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.298978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.298978 (E_RNA) where: Base-Base interactions energy: -21.508 where: short stacking energy: -21.508 Base-Backbone interact. energy: -0.002 local terms energy: -25.788923 where: bonds (distance) C4'-P energy: -4.488 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -0.562 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: 7, replica: 2 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -50.693478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.693478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.693478 (E_RNA) where: Base-Base interactions energy: -24.131 where: short stacking energy: -17.710 Base-Backbone interact. energy: -0.002 local terms energy: -26.559891 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.601 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -52.906972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.906972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.906972 (E_RNA) where: Base-Base interactions energy: -20.653 where: short stacking energy: -20.400 Base-Backbone interact. energy: -0.008 local terms energy: -32.246314 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -48.922408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.922408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.922408 (E_RNA) where: Base-Base interactions energy: -27.692 where: short stacking energy: -12.293 Base-Backbone interact. energy: -0.013 local terms energy: -21.217838 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.191 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -1.159 tors. eta vs tors. theta energy: -4.492 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: 357 Temperature: 1.350000 Total energy: -46.495103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.495103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.495103 (E_RNA) where: Base-Base interactions energy: -17.712 where: short stacking energy: -17.712 Base-Backbone interact. energy: -0.031 local terms energy: -28.752058 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -1.380 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -70.076749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.076749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.076749 (E_RNA) where: Base-Base interactions energy: -32.649 where: short stacking energy: -32.649 Base-Backbone interact. energy: -0.017 local terms energy: -37.410678 where: bonds (distance) C4'-P energy: -7.175 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -9.625 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: 7 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -60.387707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.387707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.387707 (E_RNA) where: Base-Base interactions energy: -24.720 where: short stacking energy: -23.826 Base-Backbone interact. energy: -0.000 local terms energy: -35.667735 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -6.072 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: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -53.682408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.682408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.682408 (E_RNA) where: Base-Base interactions energy: -23.807 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.079 local terms energy: -29.795844 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -60.199157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.199157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.199157 (E_RNA) where: Base-Base interactions energy: -29.303 where: short stacking energy: -29.303 Base-Backbone interact. energy: -0.008 local terms energy: -30.887554 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -52.064452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.064452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.064452 (E_RNA) where: Base-Base interactions energy: -19.906 where: short stacking energy: -18.218 Base-Backbone interact. energy: -0.006 local terms energy: -32.152196 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -50.504641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.504641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.504641 (E_RNA) where: Base-Base interactions energy: -23.650 where: short stacking energy: -23.650 Base-Backbone interact. energy: -0.004 local terms energy: -26.850762 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -50.452484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.452484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.452484 (E_RNA) where: Base-Base interactions energy: -25.375 where: short stacking energy: -20.029 Base-Backbone interact. energy: -0.001 local terms energy: -25.076389 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -8.319 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -51.415211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.415211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.415211 (E_RNA) where: Base-Base interactions energy: -17.046 where: short stacking energy: -17.548 Base-Backbone interact. energy: -0.291 local terms energy: -34.078247 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -5.523 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: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -42.162608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.162608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.162608 (E_RNA) where: Base-Base interactions energy: -16.777 where: short stacking energy: -8.837 Base-Backbone interact. energy: -0.068 local terms energy: -25.318221 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -42.471591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.471591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.471591 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.029 local terms energy: -30.201786 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -2.847 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: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -74.542886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.542886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.542886 (E_RNA) where: Base-Base interactions energy: -32.353 where: short stacking energy: -32.353 Base-Backbone interact. energy: -0.000 local terms energy: -42.190077 where: bonds (distance) C4'-P energy: -6.587 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -11.336 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: 359 Temperature: 0.950000 Total energy: -69.227205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.227205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.227205 (E_RNA) where: Base-Base interactions energy: -32.695 where: short stacking energy: -32.695 Base-Backbone interact. energy: -0.000 local terms energy: -36.532114 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -6.421 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: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -64.553130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.553130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.553130 (E_RNA) where: Base-Base interactions energy: -36.044 where: short stacking energy: -18.326 Base-Backbone interact. energy: 1.833 local terms energy: -30.342142 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -3.509 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -48.814266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.814266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.814266 (E_RNA) where: Base-Base interactions energy: -19.525 where: short stacking energy: -19.525 Base-Backbone interact. energy: -0.008 local terms energy: -29.281202 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -6.383 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -2.786 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: 5, replica: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -53.053022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.053022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.053022 (E_RNA) where: Base-Base interactions energy: -21.451 where: short stacking energy: -21.451 Base-Backbone interact. energy: -0.001 local terms energy: -31.601102 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -6.939 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: 6, replica: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -46.207434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.207434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.207434 (E_RNA) where: Base-Base interactions energy: -16.248 where: short stacking energy: -16.248 Base-Backbone interact. energy: -0.147 local terms energy: -29.812627 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -0.678 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -52.320927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.320927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.320927 (E_RNA) where: Base-Base interactions energy: -18.622 where: short stacking energy: -18.622 Base-Backbone interact. energy: -0.000 local terms energy: -33.699128 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -2.387 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: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -51.002641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.002641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.002641 (E_RNA) where: Base-Base interactions energy: -24.591 where: short stacking energy: -14.804 Base-Backbone interact. energy: 0.696 local terms energy: -27.107217 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -50.731757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.731757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.731757 (E_RNA) where: Base-Base interactions energy: -17.521 where: short stacking energy: -17.521 Base-Backbone interact. energy: -0.019 local terms energy: -33.191565 where: bonds (distance) C4'-P energy: -6.731 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -4.779 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: 10, replica: 1 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -42.192548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.192548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.192548 (E_RNA) where: Base-Base interactions energy: -12.415 where: short stacking energy: -12.415 Base-Backbone interact. energy: -0.000 local terms energy: -29.776959 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -67.557441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.557441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.557441 (E_RNA) where: Base-Base interactions energy: -32.488 where: short stacking energy: -32.488 Base-Backbone interact. energy: -0.000 local terms energy: -35.069656 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -9.087 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: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -69.579464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.579464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.579464 (E_RNA) where: Base-Base interactions energy: -31.034 where: short stacking energy: -31.034 Base-Backbone interact. energy: -0.000 local terms energy: -38.545519 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -9.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -55.250736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.250736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.250736 (E_RNA) where: Base-Base interactions energy: -19.177 where: short stacking energy: -19.177 Base-Backbone interact. energy: -0.040 local terms energy: -36.032832 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.872 flat angles P-C4'-P energy: -6.246 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: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -52.609265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.609265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.609265 (E_RNA) where: Base-Base interactions energy: -24.474 where: short stacking energy: -15.793 Base-Backbone interact. energy: -0.022 local terms energy: -28.113131 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -6.427 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: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -54.278501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.278501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.278501 (E_RNA) where: Base-Base interactions energy: -18.751 where: short stacking energy: -18.751 Base-Backbone interact. energy: -0.054 local terms energy: -35.474082 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.286 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -6.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -53.232607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.232607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.232607 (E_RNA) where: Base-Base interactions energy: -21.989 where: short stacking energy: -21.989 Base-Backbone interact. energy: -0.002 local terms energy: -31.241074 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -4.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -46.161899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.161899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.161899 (E_RNA) where: Base-Base interactions energy: -24.576 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.092 local terms energy: -21.494471 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -0.368 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -3.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -45.722986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.722986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.722986 (E_RNA) where: Base-Base interactions energy: -21.387 where: short stacking energy: -15.017 Base-Backbone interact. energy: -0.017 local terms energy: -24.319716 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -3.634 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: 360 Temperature: 1.300000 Total energy: -53.031531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.031531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.031531 (E_RNA) where: Base-Base interactions energy: -23.573 where: short stacking energy: -23.573 Base-Backbone interact. energy: 1.429 local terms energy: -30.887624 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -44.358546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.358546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.358546 (E_RNA) where: Base-Base interactions energy: -13.486 where: short stacking energy: -13.133 Base-Backbone interact. energy: -0.010 local terms energy: -30.862057 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -62.302901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.302901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.302901 (E_RNA) where: Base-Base interactions energy: -29.351 where: short stacking energy: -29.351 Base-Backbone interact. energy: -0.001 local terms energy: -32.950921 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -1.413 tors. eta vs tors. theta energy: -8.823 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: 361 Temperature: 0.950000 Total energy: -58.907854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.907854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.907854 (E_RNA) where: Base-Base interactions energy: -23.327 where: short stacking energy: -22.355 Base-Backbone interact. energy: -0.000 local terms energy: -35.580270 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -4.738 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: 3, replica: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -60.162790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.162790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.162790 (E_RNA) where: Base-Base interactions energy: -28.056 where: short stacking energy: -28.056 Base-Backbone interact. energy: -0.002 local terms energy: -32.104957 where: bonds (distance) C4'-P energy: -4.591 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -6.102 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: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -48.198669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.198669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.198669 (E_RNA) where: Base-Base interactions energy: -18.871 where: short stacking energy: -18.871 Base-Backbone interact. energy: -0.003 local terms energy: -29.324219 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -5.921 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: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -44.908301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.908301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.908301 (E_RNA) where: Base-Base interactions energy: -15.672 where: short stacking energy: -15.672 Base-Backbone interact. energy: -0.182 local terms energy: -29.054328 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -55.953652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.953652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.953652 (E_RNA) where: Base-Base interactions energy: -25.432 where: short stacking energy: -25.432 Base-Backbone interact. energy: -0.010 local terms energy: -30.512583 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -7.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -46.059893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.059893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.059893 (E_RNA) where: Base-Base interactions energy: -15.370 where: short stacking energy: -15.370 Base-Backbone interact. energy: -1.797 local terms energy: -28.893031 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -40.871468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.871468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.871468 (E_RNA) where: Base-Base interactions energy: -14.237 where: short stacking energy: -14.237 Base-Backbone interact. energy: -0.021 local terms energy: -26.613053 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -2.206 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: 9, replica: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -44.238049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.238049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.238049 (E_RNA) where: Base-Base interactions energy: -12.553 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.091 local terms energy: -31.593625 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -55.231867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.231867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.231867 (E_RNA) where: Base-Base interactions energy: -22.880 where: short stacking energy: -22.880 Base-Backbone interact. energy: -0.000 local terms energy: -32.352202 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -66.343695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.343695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.343695 (E_RNA) where: Base-Base interactions energy: -30.330 where: short stacking energy: -30.330 Base-Backbone interact. energy: -0.000 local terms energy: -36.013293 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -63.172592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.172592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.172592 (E_RNA) where: Base-Base interactions energy: -33.198 where: short stacking energy: -26.864 Base-Backbone interact. energy: 1.609 local terms energy: -31.583678 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -60.394189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.394189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.394189 (E_RNA) where: Base-Base interactions energy: -24.256 where: short stacking energy: -24.256 Base-Backbone interact. energy: -0.040 local terms energy: -36.097526 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -7.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -44.279274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.279274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.279274 (E_RNA) where: Base-Base interactions energy: -21.353 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.083 local terms energy: -22.842830 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: 2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -46.472030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.472030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.472030 (E_RNA) where: Base-Base interactions energy: -17.429 where: short stacking energy: -17.429 Base-Backbone interact. energy: -0.035 local terms energy: -29.007781 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -52.715214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.715214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.715214 (E_RNA) where: Base-Base interactions energy: -20.606 where: short stacking energy: -20.606 Base-Backbone interact. energy: -0.001 local terms energy: -32.107780 where: bonds (distance) C4'-P energy: -5.654 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -5.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -41.222272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.222272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.222272 (E_RNA) where: Base-Base interactions energy: -13.129 where: short stacking energy: -13.129 Base-Backbone interact. energy: -0.002 local terms energy: -28.091694 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: 1.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -54.003096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.003096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.003096 (E_RNA) where: Base-Base interactions energy: -21.649 where: short stacking energy: -21.649 Base-Backbone interact. energy: -0.000 local terms energy: -32.354072 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -3.016 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: 9, replica: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -44.236059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.236059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.236059 (E_RNA) where: Base-Base interactions energy: -16.541 where: short stacking energy: -16.541 Base-Backbone interact. energy: -0.011 local terms energy: -27.683496 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -1.816 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: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -46.518783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.518783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.518783 (E_RNA) where: Base-Base interactions energy: -19.978 where: short stacking energy: -19.978 Base-Backbone interact. energy: -0.000 local terms energy: -26.540765 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -2.271 tors. eta vs tors. theta energy: -5.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -63.347723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.347723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.347723 (E_RNA) where: Base-Base interactions energy: -24.672 where: short stacking energy: -23.334 Base-Backbone interact. energy: -0.001 local terms energy: -38.674667 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.657 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -74.520543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.520543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.520543 (E_RNA) where: Base-Base interactions energy: -36.547 where: short stacking energy: -28.687 Base-Backbone interact. energy: -2.180 local terms energy: -35.792720 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -7.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -53.971671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.971671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.971671 (E_RNA) where: Base-Base interactions energy: -21.523 where: short stacking energy: -17.937 Base-Backbone interact. energy: -0.268 local terms energy: -32.180491 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -5.903 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: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -55.362706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.362706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.362706 (E_RNA) where: Base-Base interactions energy: -26.957 where: short stacking energy: -23.020 Base-Backbone interact. energy: -0.000 local terms energy: -28.405771 where: bonds (distance) C4'-P energy: -6.205 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -47.366274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.366274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.366274 (E_RNA) where: Base-Base interactions energy: -19.126 where: short stacking energy: -19.126 Base-Backbone interact. energy: -0.093 local terms energy: -28.147333 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -1.059 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -46.575016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.575016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.575016 (E_RNA) where: Base-Base interactions energy: -19.868 where: short stacking energy: -19.868 Base-Backbone interact. energy: -0.001 local terms energy: -26.706343 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -1.465 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -54.441930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.441930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.441930 (E_RNA) where: Base-Base interactions energy: -22.459 where: short stacking energy: -15.641 Base-Backbone interact. energy: -0.002 local terms energy: -31.980567 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -5.757 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: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -48.319288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.319288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.319288 (E_RNA) where: Base-Base interactions energy: -16.153 where: short stacking energy: -16.153 Base-Backbone interact. energy: -0.002 local terms energy: -32.164547 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -2.927 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: 9, replica: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -40.493114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.493114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.493114 (E_RNA) where: Base-Base interactions energy: -13.122 where: short stacking energy: -7.898 Base-Backbone interact. energy: -1.400 local terms energy: -25.971335 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -0.762 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: 363 Temperature: 1.350000 Total energy: -48.704798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.704798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.704798 (E_RNA) where: Base-Base interactions energy: -16.396 where: short stacking energy: -16.396 Base-Backbone interact. energy: -0.000 local terms energy: -32.308592 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -6.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -72.865416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.865416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.865416 (E_RNA) where: Base-Base interactions energy: -31.438 where: short stacking energy: -31.438 Base-Backbone interact. energy: -0.000 local terms energy: -41.427425 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -10.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -56.477291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.477291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.477291 (E_RNA) where: Base-Base interactions energy: -25.103 where: short stacking energy: -25.103 Base-Backbone interact. energy: -0.061 local terms energy: -31.313679 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -54.873613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.873613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.873613 (E_RNA) where: Base-Base interactions energy: -21.895 where: short stacking energy: -21.895 Base-Backbone interact. energy: -0.065 local terms energy: -32.912946 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -50.738401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.738401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.738401 (E_RNA) where: Base-Base interactions energy: -22.486 where: short stacking energy: -22.486 Base-Backbone interact. energy: -0.298 local terms energy: -27.954712 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -2.462 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: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -49.433972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.433972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.433972 (E_RNA) where: Base-Base interactions energy: -22.491 where: short stacking energy: -22.491 Base-Backbone interact. energy: -0.087 local terms energy: -26.855681 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -4.393 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -51.008785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.008785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.008785 (E_RNA) where: Base-Base interactions energy: -21.578 where: short stacking energy: -17.358 Base-Backbone interact. energy: -0.002 local terms energy: -29.429188 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -6.376 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: 364 Temperature: 1.200000 Total energy: -50.748893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.748893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.748893 (E_RNA) where: Base-Base interactions energy: -20.948 where: short stacking energy: -20.948 Base-Backbone interact. energy: -0.001 local terms energy: -29.799771 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -3.152 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: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -51.681960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.681960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.681960 (E_RNA) where: Base-Base interactions energy: -26.502 where: short stacking energy: -20.960 Base-Backbone interact. energy: -0.104 local terms energy: -25.075763 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: 1.547 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -41.504395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.504395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.504395 (E_RNA) where: Base-Base interactions energy: -15.419 where: short stacking energy: -15.419 Base-Backbone interact. energy: -0.001 local terms energy: -26.083790 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.773 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -42.720517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.720517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.720517 (E_RNA) where: Base-Base interactions energy: -15.564 where: short stacking energy: -15.564 Base-Backbone interact. energy: -0.001 local terms energy: -27.155917 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -71.807299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.807299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.807299 (E_RNA) where: Base-Base interactions energy: -30.093 where: short stacking energy: -30.093 Base-Backbone interact. energy: -0.000 local terms energy: -41.713859 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -9.698 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: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -62.843318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.843318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.843318 (E_RNA) where: Base-Base interactions energy: -26.267 where: short stacking energy: -26.267 Base-Backbone interact. energy: -0.007 local terms energy: -36.569073 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -4.571 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: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -62.507265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.507265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.507265 (E_RNA) where: Base-Base interactions energy: -24.302 where: short stacking energy: -24.302 Base-Backbone interact. energy: -0.000 local terms energy: -38.205213 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -60.477365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.477365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.477365 (E_RNA) where: Base-Base interactions energy: -23.519 where: short stacking energy: -22.585 Base-Backbone interact. energy: -0.086 local terms energy: -36.873090 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -4.634 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: 5, replica: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -42.855830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.855830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.855830 (E_RNA) where: Base-Base interactions energy: -18.477 where: short stacking energy: -16.735 Base-Backbone interact. energy: 0.431 local terms energy: -24.809845 where: bonds (distance) C4'-P energy: -6.010 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -0.173 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -52.329042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.329042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.329042 (E_RNA) where: Base-Base interactions energy: -19.662 where: short stacking energy: -19.662 Base-Backbone interact. energy: -0.000 local terms energy: -32.667475 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -4.999 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: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -48.022267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.022267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.022267 (E_RNA) where: Base-Base interactions energy: -18.004 where: short stacking energy: -18.004 Base-Backbone interact. energy: -0.002 local terms energy: -30.016601 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -5.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -55.273135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.273135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.273135 (E_RNA) where: Base-Base interactions energy: -28.283 where: short stacking energy: -20.840 Base-Backbone interact. energy: -0.113 local terms energy: -26.877415 where: bonds (distance) C4'-P energy: -2.305 bonds (distance) P-C4' energy: -4.714 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -5.865 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: 9, replica: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -47.639156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.639156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.639156 (E_RNA) where: Base-Base interactions energy: -15.022 where: short stacking energy: -15.022 Base-Backbone interact. energy: -0.000 local terms energy: -32.616754 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -39.101829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.101829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.101829 (E_RNA) where: Base-Base interactions energy: -12.900 where: short stacking energy: -12.900 Base-Backbone interact. energy: -0.011 local terms energy: -26.190721 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -1.575 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: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -68.299958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.299958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.299958 (E_RNA) where: Base-Base interactions energy: -29.406 where: short stacking energy: -29.406 Base-Backbone interact. energy: -0.022 local terms energy: -38.871852 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -9.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -61.019359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.019359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.019359 (E_RNA) where: Base-Base interactions energy: -26.297 where: short stacking energy: -26.297 Base-Backbone interact. energy: -0.012 local terms energy: -34.710879 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -59.527415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.527415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.527415 (E_RNA) where: Base-Base interactions energy: -24.574 where: short stacking energy: -24.574 Base-Backbone interact. energy: -0.000 local terms energy: -34.953322 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -6.889 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: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -47.251523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.251523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.251523 (E_RNA) where: Base-Base interactions energy: -15.849 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.014 local terms energy: -31.387964 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -5.172 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: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -45.319029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.319029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.319029 (E_RNA) where: Base-Base interactions energy: -16.519 where: short stacking energy: -16.519 Base-Backbone interact. energy: -0.188 local terms energy: -28.611695 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -5.443 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: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -49.309400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.309400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.309400 (E_RNA) where: Base-Base interactions energy: -20.846 where: short stacking energy: -9.362 Base-Backbone interact. energy: 0.206 local terms energy: -28.669657 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -0.526 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: 9 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -51.999385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.999385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.999385 (E_RNA) where: Base-Base interactions energy: -23.876 where: short stacking energy: -23.876 Base-Backbone interact. energy: -0.000 local terms energy: -28.123613 where: bonds (distance) C4'-P energy: -2.248 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -10.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -46.170006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.170006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.170006 (E_RNA) where: Base-Base interactions energy: -21.126 where: short stacking energy: -21.126 Base-Backbone interact. energy: -0.000 local terms energy: -25.043021 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -4.802 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -0.842 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: 9, replica: 6 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -43.038289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.038289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.038289 (E_RNA) where: Base-Base interactions energy: -16.642 where: short stacking energy: -16.481 Base-Backbone interact. energy: -0.018 local terms energy: -26.377784 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -44.771856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.771856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.771856 (E_RNA) where: Base-Base interactions energy: -17.495 where: short stacking energy: -12.063 Base-Backbone interact. energy: -0.050 local terms energy: -27.227298 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -1.414 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: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -76.441471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.441471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.441471 (E_RNA) where: Base-Base interactions energy: -41.253 where: short stacking energy: -25.245 Base-Backbone interact. energy: -0.001 local terms energy: -35.187823 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -7.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -67.647996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.647996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.647996 (E_RNA) where: Base-Base interactions energy: -34.847 where: short stacking energy: -23.908 Base-Backbone interact. energy: -0.014 local terms energy: -32.787068 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -50.857923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.857923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.857923 (E_RNA) where: Base-Base interactions energy: -20.108 where: short stacking energy: -20.108 Base-Backbone interact. energy: -0.001 local terms energy: -30.748691 where: bonds (distance) C4'-P energy: -7.250 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -56.009533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.009533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.009533 (E_RNA) where: Base-Base interactions energy: -21.007 where: short stacking energy: -21.007 Base-Backbone interact. energy: -0.002 local terms energy: -35.000663 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -57.169832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.169832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.169832 (E_RNA) where: Base-Base interactions energy: -21.119 where: short stacking energy: -21.119 Base-Backbone interact. energy: -0.004 local terms energy: -36.047150 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -6.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -45.798259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.798259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.798259 (E_RNA) where: Base-Base interactions energy: -18.054 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.004 local terms energy: -27.740893 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -48.532749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.532749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.532749 (E_RNA) where: Base-Base interactions energy: -21.815 where: short stacking energy: -20.587 Base-Backbone interact. energy: -0.101 local terms energy: -26.616877 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -0.284 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: 8, replica: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -48.119247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.119247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.119247 (E_RNA) where: Base-Base interactions energy: -16.924 where: short stacking energy: -16.924 Base-Backbone interact. energy: -0.022 local terms energy: -31.173381 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -44.432498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.432498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.432498 (E_RNA) where: Base-Base interactions energy: -17.839 where: short stacking energy: -17.839 Base-Backbone interact. energy: -0.022 local terms energy: -26.572362 where: bonds (distance) C4'-P energy: -5.084 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.939 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: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -42.532216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.532216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.532216 (E_RNA) where: Base-Base interactions energy: -19.350 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.173 local terms energy: -23.009090 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -1.739 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: 1, replica: 5 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -56.831781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.831781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.831781 (E_RNA) where: Base-Base interactions energy: -23.239 where: short stacking energy: -23.239 Base-Backbone interact. energy: -0.045 local terms energy: -33.546995 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -5.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -70.969914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.969914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.969914 (E_RNA) where: Base-Base interactions energy: -37.457 where: short stacking energy: -19.277 Base-Backbone interact. energy: -0.011 local terms energy: -33.501896 where: bonds (distance) C4'-P energy: -6.330 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -74.504517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.504517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.504517 (E_RNA) where: Base-Base interactions energy: -36.389 where: short stacking energy: -29.356 Base-Backbone interact. energy: -0.118 local terms energy: -37.997730 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -66.104987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.104987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.104987 (E_RNA) where: Base-Base interactions energy: -28.090 where: short stacking energy: -23.160 Base-Backbone interact. energy: -0.031 local terms energy: -37.983424 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -7.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -52.508657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.508657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.508657 (E_RNA) where: Base-Base interactions energy: -21.468 where: short stacking energy: -21.468 Base-Backbone interact. energy: -0.005 local terms energy: -31.035962 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.879 flat angles P-C4'-P energy: -4.776 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: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -46.332952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.332952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.332952 (E_RNA) where: Base-Base interactions energy: -17.064 where: short stacking energy: -14.168 Base-Backbone interact. energy: -0.079 local terms energy: -29.190118 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -4.552 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: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -51.121620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.121620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.121620 (E_RNA) where: Base-Base interactions energy: -19.407 where: short stacking energy: -13.756 Base-Backbone interact. energy: -0.002 local terms energy: -31.712697 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -4.111 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: 368 Temperature: 1.250000 Total energy: -50.189704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.189704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.189704 (E_RNA) where: Base-Base interactions energy: -19.275 where: short stacking energy: -19.275 Base-Backbone interact. energy: -0.000 local terms energy: -30.914775 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.002 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -4.795 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: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -49.179702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.179702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.179702 (E_RNA) where: Base-Base interactions energy: -25.268 where: short stacking energy: -25.268 Base-Backbone interact. energy: -0.050 local terms energy: -23.861693 where: bonds (distance) C4'-P energy: -2.483 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -5.625 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: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -36.706609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.706609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.706609 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.028 local terms energy: -23.077972 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -1.277 tors. eta vs tors. theta energy: -1.915 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: 1, replica: 5 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -57.957397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.957397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.957397 (E_RNA) where: Base-Base interactions energy: -25.003 where: short stacking energy: -24.494 Base-Backbone interact. energy: -0.094 local terms energy: -32.860296 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -69.549798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.549798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.549798 (E_RNA) where: Base-Base interactions energy: -37.816 where: short stacking energy: -16.715 Base-Backbone interact. energy: -0.004 local terms energy: -31.729954 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -3.234 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: 3, replica: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -56.650047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.650047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.650047 (E_RNA) where: Base-Base interactions energy: -22.254 where: short stacking energy: -22.254 Base-Backbone interact. energy: -0.000 local terms energy: -34.395798 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -5.066 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: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -52.952170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.952170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.952170 (E_RNA) where: Base-Base interactions energy: -23.278 where: short stacking energy: -23.278 Base-Backbone interact. energy: -0.000 local terms energy: -29.674381 where: bonds (distance) C4'-P energy: -5.760 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -4.499 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: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -51.992046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.992046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.992046 (E_RNA) where: Base-Base interactions energy: -22.734 where: short stacking energy: -14.160 Base-Backbone interact. energy: -0.019 local terms energy: -29.238735 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -1.994 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -56.046145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.046145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.046145 (E_RNA) where: Base-Base interactions energy: -28.974 where: short stacking energy: -25.786 Base-Backbone interact. energy: -0.055 local terms energy: -27.016914 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -50.473767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.473767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.473767 (E_RNA) where: Base-Base interactions energy: -19.747 where: short stacking energy: -19.747 Base-Backbone interact. energy: -0.000 local terms energy: -30.727044 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -5.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -52.926867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.926867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.926867 (E_RNA) where: Base-Base interactions energy: -19.860 where: short stacking energy: -19.231 Base-Backbone interact. energy: -0.000 local terms energy: -33.066872 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -41.652998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.652998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.652998 (E_RNA) where: Base-Base interactions energy: -17.758 where: short stacking energy: -16.819 Base-Backbone interact. energy: 0.022 local terms energy: -23.917016 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: 0.974 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: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -45.842967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.842967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.842967 (E_RNA) where: Base-Base interactions energy: -18.101 where: short stacking energy: -18.101 Base-Backbone interact. energy: -0.123 local terms energy: -27.619093 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -66.698505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.698505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.698505 (E_RNA) where: Base-Base interactions energy: -29.575 where: short stacking energy: -20.389 Base-Backbone interact. energy: -0.000 local terms energy: -37.123517 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -7.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -64.417428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.417428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.417428 (E_RNA) where: Base-Base interactions energy: -27.407 where: short stacking energy: -26.945 Base-Backbone interact. energy: 0.429 local terms energy: -37.439144 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -6.073 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: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -55.263517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.263517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.263517 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -20.522 Base-Backbone interact. energy: -0.000 local terms energy: -34.741139 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -9.376 flat angles P-C4'-P energy: -4.541 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: 4, replica: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -50.533075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.533075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.533075 (E_RNA) where: Base-Base interactions energy: -20.432 where: short stacking energy: -20.432 Base-Backbone interact. energy: -0.003 local terms energy: -30.098855 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -3.323 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: 5, replica: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -58.655083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.655083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.655083 (E_RNA) where: Base-Base interactions energy: -30.212 where: short stacking energy: -21.242 Base-Backbone interact. energy: -0.003 local terms energy: -28.440030 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -1.949 flat angles P-C4'-P energy: -5.759 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: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -47.727130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.727130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.727130 (E_RNA) where: Base-Base interactions energy: -14.382 where: short stacking energy: -14.382 Base-Backbone interact. energy: -0.000 local terms energy: -33.345041 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -58.872546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.872546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.872546 (E_RNA) where: Base-Base interactions energy: -28.102 where: short stacking energy: -22.567 Base-Backbone interact. energy: -0.017 local terms energy: -30.753008 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -1.652 tors. eta vs tors. theta energy: -7.036 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: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -42.689198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.689198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.689198 (E_RNA) where: Base-Base interactions energy: -10.039 where: short stacking energy: -10.039 Base-Backbone interact. energy: -0.300 local terms energy: -32.350383 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -42.736778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.736778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.736778 (E_RNA) where: Base-Base interactions energy: -16.374 where: short stacking energy: -16.374 Base-Backbone interact. energy: -0.002 local terms energy: -26.360633 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -41.254302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.254302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.254302 (E_RNA) where: Base-Base interactions energy: -9.378 where: short stacking energy: -9.378 Base-Backbone interact. energy: -0.000 local terms energy: -31.876592 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -66.921842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.921842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.921842 (E_RNA) where: Base-Base interactions energy: -31.615 where: short stacking energy: -31.615 Base-Backbone interact. energy: -0.000 local terms energy: -35.306615 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -63.227534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.227534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.227534 (E_RNA) where: Base-Base interactions energy: -27.585 where: short stacking energy: -27.585 Base-Backbone interact. energy: 0.603 local terms energy: -36.245549 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -6.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -67.064136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.064136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.064136 (E_RNA) where: Base-Base interactions energy: -33.158 where: short stacking energy: -23.298 Base-Backbone interact. energy: -0.008 local terms energy: -33.898693 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -55.177696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.177696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.177696 (E_RNA) where: Base-Base interactions energy: -21.338 where: short stacking energy: -21.338 Base-Backbone interact. energy: -0.031 local terms energy: -33.809003 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -54.897270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.897270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.897270 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -20.522 Base-Backbone interact. energy: -0.001 local terms energy: -34.373820 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -7.528 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: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -51.768844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.768844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.768844 (E_RNA) where: Base-Base interactions energy: -26.211 where: short stacking energy: -13.021 Base-Backbone interact. energy: -0.040 local terms energy: -25.517799 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.260 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -3.720 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: 7, replica: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -45.829980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.829980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.829980 (E_RNA) where: Base-Base interactions energy: -20.016 where: short stacking energy: -14.288 Base-Backbone interact. energy: -0.011 local terms energy: -25.802830 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -4.494 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: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -45.010336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.010336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.010336 (E_RNA) where: Base-Base interactions energy: -17.839 where: short stacking energy: -17.322 Base-Backbone interact. energy: -0.002 local terms energy: -27.169377 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -43.694495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.694495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.694495 (E_RNA) where: Base-Base interactions energy: -11.672 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.046 local terms energy: -31.976382 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -40.364995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.364995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.364995 (E_RNA) where: Base-Base interactions energy: -13.630 where: short stacking energy: -13.630 Base-Backbone interact. energy: -0.014 local terms energy: -26.721567 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -66.037728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.037728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.037728 (E_RNA) where: Base-Base interactions energy: -26.105 where: short stacking energy: -26.105 Base-Backbone interact. energy: -0.000 local terms energy: -39.932426 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -5.744 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: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -53.481273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.481273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.481273 (E_RNA) where: Base-Base interactions energy: -23.187 where: short stacking energy: -23.187 Base-Backbone interact. energy: -0.095 local terms energy: -30.199314 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -55.821517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.821517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.821517 (E_RNA) where: Base-Base interactions energy: -27.135 where: short stacking energy: -27.135 Base-Backbone interact. energy: -0.005 local terms energy: -28.681071 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -4.467 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -6.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -64.476045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.476045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.476045 (E_RNA) where: Base-Base interactions energy: -25.964 where: short stacking energy: -25.964 Base-Backbone interact. energy: -0.001 local terms energy: -38.511156 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -8.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -47.323750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.323750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.323750 (E_RNA) where: Base-Base interactions energy: -20.577 where: short stacking energy: -15.464 Base-Backbone interact. energy: -0.103 local terms energy: -26.643765 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -6.238 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -59.020494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.020494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.020494 (E_RNA) where: Base-Base interactions energy: -30.160 where: short stacking energy: -22.597 Base-Backbone interact. energy: -0.000 local terms energy: -28.860211 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -6.418 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -7.397 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: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -55.110560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.110560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.110560 (E_RNA) where: Base-Base interactions energy: -23.798 where: short stacking energy: -23.005 Base-Backbone interact. energy: -0.006 local terms energy: -31.306177 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -5.272 flat angles C4'-P-C4' energy: -8.680 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -44.721172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.721172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.721172 (E_RNA) where: Base-Base interactions energy: -13.586 where: short stacking energy: -13.586 Base-Backbone interact. energy: -0.031 local terms energy: -31.104127 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -4.361 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: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -43.000471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.000471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.000471 (E_RNA) where: Base-Base interactions energy: -16.309 where: short stacking energy: -16.309 Base-Backbone interact. energy: -0.005 local terms energy: -26.686839 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -6.514 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: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -39.462537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.462537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.462537 (E_RNA) where: Base-Base interactions energy: -12.369 where: short stacking energy: -12.369 Base-Backbone interact. energy: -0.081 local terms energy: -27.012003 where: bonds (distance) C4'-P energy: -4.198 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -4.981 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: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -61.113606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.113606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.113606 (E_RNA) where: Base-Base interactions energy: -27.380 where: short stacking energy: -27.127 Base-Backbone interact. energy: 0.677 local terms energy: -34.409966 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -6.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -54.018109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.018109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.018109 (E_RNA) where: Base-Base interactions energy: -22.506 where: short stacking energy: -18.585 Base-Backbone interact. energy: -0.015 local terms energy: -31.497089 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -3.370 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: 3, replica: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -63.753631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.753631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.753631 (E_RNA) where: Base-Base interactions energy: -26.550 where: short stacking energy: -26.550 Base-Backbone interact. energy: -0.002 local terms energy: -37.202475 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -7.735 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: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -58.562789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.562789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.562789 (E_RNA) where: Base-Base interactions energy: -23.320 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.000 local terms energy: -35.243177 where: bonds (distance) C4'-P energy: -6.825 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -8.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -57.922608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.922608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.922608 (E_RNA) where: Base-Base interactions energy: -27.882 where: short stacking energy: -27.882 Base-Backbone interact. energy: -0.002 local terms energy: -30.038625 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -55.883923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.883923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.883923 (E_RNA) where: Base-Base interactions energy: -20.025 where: short stacking energy: -20.025 Base-Backbone interact. energy: -0.028 local terms energy: -35.830607 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -9.120 flat angles P-C4'-P energy: -5.328 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: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -58.404129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.404129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.404129 (E_RNA) where: Base-Base interactions energy: -26.459 where: short stacking energy: -17.313 Base-Backbone interact. energy: -0.550 local terms energy: -31.395895 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -3.914 flat angles P-C4'-P energy: -6.416 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: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -42.651112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.651112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.651112 (E_RNA) where: Base-Base interactions energy: -20.965 where: short stacking energy: -16.350 Base-Backbone interact. energy: -0.042 local terms energy: -21.643956 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -0.734 flat angles P-C4'-P energy: -2.919 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: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -47.648673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.648673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.648673 (E_RNA) where: Base-Base interactions energy: -19.975 where: short stacking energy: -19.975 Base-Backbone interact. energy: -0.005 local terms energy: -27.668001 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -2.403 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: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -55.035480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.035480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.035480 (E_RNA) where: Base-Base interactions energy: -35.151 where: short stacking energy: -22.717 Base-Backbone interact. energy: -0.012 local terms energy: -19.872034 where: bonds (distance) C4'-P energy: -2.036 bonds (distance) P-C4' energy: -5.242 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -3.567 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: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -62.428924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.428924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.428924 (E_RNA) where: Base-Base interactions energy: -24.617 where: short stacking energy: -24.617 Base-Backbone interact. energy: -0.000 local terms energy: -37.811439 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -6.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -58.672939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.672939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.672939 (E_RNA) where: Base-Base interactions energy: -24.053 where: short stacking energy: -18.198 Base-Backbone interact. energy: -0.004 local terms energy: -34.616065 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -50.781352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.781352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.781352 (E_RNA) where: Base-Base interactions energy: -19.275 where: short stacking energy: -19.275 Base-Backbone interact. energy: -0.002 local terms energy: -31.504343 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -59.934750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.934750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.934750 (E_RNA) where: Base-Base interactions energy: -29.641 where: short stacking energy: -15.902 Base-Backbone interact. energy: -0.625 local terms energy: -29.669297 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -53.272761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.272761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.272761 (E_RNA) where: Base-Base interactions energy: -19.555 where: short stacking energy: -19.083 Base-Backbone interact. energy: -0.000 local terms energy: -33.717849 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.674 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: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -47.454010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.454010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.454010 (E_RNA) where: Base-Base interactions energy: -19.924 where: short stacking energy: -15.288 Base-Backbone interact. energy: -0.075 local terms energy: -27.455649 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -5.706 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: 7, replica: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -50.495147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.495147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.495147 (E_RNA) where: Base-Base interactions energy: -18.099 where: short stacking energy: -18.099 Base-Backbone interact. energy: -0.124 local terms energy: -32.272410 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -7.079 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: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -48.586771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.586771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.586771 (E_RNA) where: Base-Base interactions energy: -19.193 where: short stacking energy: -18.588 Base-Backbone interact. energy: -0.004 local terms energy: -29.389516 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -46.799581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.799581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.799581 (E_RNA) where: Base-Base interactions energy: -16.222 where: short stacking energy: -16.222 Base-Backbone interact. energy: -0.000 local terms energy: -30.577772 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -46.976411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.976411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.976411 (E_RNA) where: Base-Base interactions energy: -15.077 where: short stacking energy: -15.077 Base-Backbone interact. energy: -0.084 local terms energy: -31.815391 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -59.983180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.983180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.983180 (E_RNA) where: Base-Base interactions energy: -24.864 where: short stacking energy: -24.864 Base-Backbone interact. energy: -0.000 local terms energy: -35.119404 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -7.141 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: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -60.458724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.458724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.458724 (E_RNA) where: Base-Base interactions energy: -28.158 where: short stacking energy: -25.354 Base-Backbone interact. energy: -0.000 local terms energy: -32.300397 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -60.554447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.554447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.554447 (E_RNA) where: Base-Base interactions energy: -24.298 where: short stacking energy: -24.284 Base-Backbone interact. energy: -0.001 local terms energy: -36.256029 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -6.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -53.269666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.269666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.269666 (E_RNA) where: Base-Base interactions energy: -21.499 where: short stacking energy: -21.499 Base-Backbone interact. energy: -0.111 local terms energy: -31.659001 where: bonds (distance) C4'-P energy: -5.298 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -6.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -59.420925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.420925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.420925 (E_RNA) where: Base-Base interactions energy: -25.455 where: short stacking energy: -19.365 Base-Backbone interact. energy: 0.166 local terms energy: -34.132565 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -7.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -48.187850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.187850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.187850 (E_RNA) where: Base-Base interactions energy: -15.745 where: short stacking energy: -15.745 Base-Backbone interact. energy: -0.001 local terms energy: -32.441494 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -6.581 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: 375 Temperature: 1.200000 Total energy: -46.594652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.594652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.594652 (E_RNA) where: Base-Base interactions energy: -19.228 where: short stacking energy: -19.228 Base-Backbone interact. energy: -0.003 local terms energy: -27.363546 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -3.457 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: 10 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -47.957120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.957120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.957120 (E_RNA) where: Base-Base interactions energy: -18.352 where: short stacking energy: -18.352 Base-Backbone interact. energy: -0.006 local terms energy: -29.599297 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -6.143 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: 375 Temperature: 1.300000 Total energy: -43.006756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.006756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.006756 (E_RNA) where: Base-Base interactions energy: -16.993 where: short stacking energy: -15.430 Base-Backbone interact. energy: -0.016 local terms energy: -25.998297 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -5.341 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: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -53.462829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.462829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.462829 (E_RNA) where: Base-Base interactions energy: -22.517 where: short stacking energy: -17.169 Base-Backbone interact. energy: 0.178 local terms energy: -31.123199 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -65.499567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.499567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.499567 (E_RNA) where: Base-Base interactions energy: -32.695 where: short stacking energy: -26.683 Base-Backbone interact. energy: -0.331 local terms energy: -32.473182 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -61.608485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.608485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.608485 (E_RNA) where: Base-Base interactions energy: -24.216 where: short stacking energy: -24.216 Base-Backbone interact. energy: -0.001 local terms energy: -37.392188 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -8.073 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: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -59.106707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.106707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.106707 (E_RNA) where: Base-Base interactions energy: -29.546 where: short stacking energy: -18.337 Base-Backbone interact. energy: -0.012 local terms energy: -29.548897 where: bonds (distance) C4'-P energy: -5.751 bonds (distance) P-C4' energy: -7.162 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -59.998860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.998860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.998860 (E_RNA) where: Base-Base interactions energy: -26.908 where: short stacking energy: -26.908 Base-Backbone interact. energy: -0.000 local terms energy: -33.091245 where: bonds (distance) C4'-P energy: -7.605 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -6.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -57.206169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.206169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.206169 (E_RNA) where: Base-Base interactions energy: -27.251 where: short stacking energy: -21.744 Base-Backbone interact. energy: -0.539 local terms energy: -29.416269 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -1.686 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -49.612168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.612168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.612168 (E_RNA) where: Base-Base interactions energy: -21.038 where: short stacking energy: -21.038 Base-Backbone interact. energy: -0.082 local terms energy: -28.492497 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -5.625 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: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -46.711437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.711437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.711437 (E_RNA) where: Base-Base interactions energy: -14.288 where: short stacking energy: -14.288 Base-Backbone interact. energy: -0.000 local terms energy: -32.422635 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -5.814 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: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -44.270709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.270709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.270709 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.099 local terms energy: -32.250445 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -5.696 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: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -49.921196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.921196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.921196 (E_RNA) where: Base-Base interactions energy: -21.645 where: short stacking energy: -11.294 Base-Backbone interact. energy: -0.002 local terms energy: -28.274910 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -3.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -40.489577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.489577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.489577 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -11.460 Base-Backbone interact. energy: 1.478 local terms energy: -28.883060 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -63.668999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.668999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.668999 (E_RNA) where: Base-Base interactions energy: -27.831 where: short stacking energy: -27.831 Base-Backbone interact. energy: -0.001 local terms energy: -35.836306 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -9.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -63.345322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.345322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.345322 (E_RNA) where: Base-Base interactions energy: -30.813 where: short stacking energy: -28.105 Base-Backbone interact. energy: -0.000 local terms energy: -32.532258 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.254 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -8.216 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: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -56.560361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.560361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.560361 (E_RNA) where: Base-Base interactions energy: -23.770 where: short stacking energy: -21.201 Base-Backbone interact. energy: -0.038 local terms energy: -32.751914 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -4.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -58.177163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.177163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.177163 (E_RNA) where: Base-Base interactions energy: -29.328 where: short stacking energy: -29.328 Base-Backbone interact. energy: -0.036 local terms energy: -28.812967 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -4.559 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -0.987 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: 5, replica: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -51.651012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.651012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.651012 (E_RNA) where: Base-Base interactions energy: -18.620 where: short stacking energy: -18.411 Base-Backbone interact. energy: -0.123 local terms energy: -32.908060 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -4.746 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: 6, replica: 10 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -45.805379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.805379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.805379 (E_RNA) where: Base-Base interactions energy: -14.775 where: short stacking energy: -12.914 Base-Backbone interact. energy: -0.096 local terms energy: -30.935000 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -3.806 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: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -50.894837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.894837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.894837 (E_RNA) where: Base-Base interactions energy: -20.990 where: short stacking energy: -17.632 Base-Backbone interact. energy: 0.071 local terms energy: -29.976114 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -6.304 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: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -45.494787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.494787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.494787 (E_RNA) where: Base-Base interactions energy: -17.837 where: short stacking energy: -17.837 Base-Backbone interact. energy: -0.000 local terms energy: -27.658010 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: 1.529 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: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -41.320639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.320639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.320639 (E_RNA) where: Base-Base interactions energy: -19.949 where: short stacking energy: -12.770 Base-Backbone interact. energy: -0.008 local terms energy: -21.363893 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -1.066 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: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -39.392601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.392601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.392601 (E_RNA) where: Base-Base interactions energy: -11.154 where: short stacking energy: -11.154 Base-Backbone interact. energy: -0.007 local terms energy: -28.232081 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -8.841 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -53.692538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.692538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.692538 (E_RNA) where: Base-Base interactions energy: -23.970 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.061 local terms energy: -29.661684 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -61.095248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.095248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.095248 (E_RNA) where: Base-Base interactions energy: -23.934 where: short stacking energy: -23.934 Base-Backbone interact. energy: -0.070 local terms energy: -37.091363 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -7.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -58.172626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.172626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.172626 (E_RNA) where: Base-Base interactions energy: -23.600 where: short stacking energy: -23.600 Base-Backbone interact. energy: -0.197 local terms energy: -34.375215 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -7.388 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: 4, replica: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -66.697633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.697633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.697633 (E_RNA) where: Base-Base interactions energy: -30.842 where: short stacking energy: -30.842 Base-Backbone interact. energy: -0.001 local terms energy: -35.855466 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -7.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -53.825725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.825725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.825725 (E_RNA) where: Base-Base interactions energy: -23.359 where: short stacking energy: -21.219 Base-Backbone interact. energy: 0.087 local terms energy: -30.553090 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -3.713 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -52.807146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.807146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.807146 (E_RNA) where: Base-Base interactions energy: -22.699 where: short stacking energy: -22.699 Base-Backbone interact. energy: -0.123 local terms energy: -29.985086 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -5.018 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: 7, replica: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -45.393484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.393484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.393484 (E_RNA) where: Base-Base interactions energy: -24.209 where: short stacking energy: -9.849 Base-Backbone interact. energy: -0.016 local terms energy: -21.168702 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: 1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -44.244094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.244094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.244094 (E_RNA) where: Base-Base interactions energy: -16.271 where: short stacking energy: -16.271 Base-Backbone interact. energy: 1.671 local terms energy: -29.644213 where: bonds (distance) C4'-P energy: -8.101 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.205 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: 9, replica: 3 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -51.622575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.622575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.622575 (E_RNA) where: Base-Base interactions energy: -20.395 where: short stacking energy: -20.395 Base-Backbone interact. energy: -0.001 local terms energy: -31.225879 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -5.406 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -39.868785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.868785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.868785 (E_RNA) where: Base-Base interactions energy: -14.804 where: short stacking energy: -14.804 Base-Backbone interact. energy: 1.198 local terms energy: -26.262211 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -73.729086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.729086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.729086 (E_RNA) where: Base-Base interactions energy: -35.472 where: short stacking energy: -35.472 Base-Backbone interact. energy: -0.000 local terms energy: -38.256723 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -5.236 flat angles C4'-P-C4' energy: -8.329 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -11.586 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: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -68.592496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.592496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.592496 (E_RNA) where: Base-Base interactions energy: -39.022 where: short stacking energy: -24.263 Base-Backbone interact. energy: -0.018 local terms energy: -29.551770 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -57.641850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.641850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.641850 (E_RNA) where: Base-Base interactions energy: -24.744 where: short stacking energy: -24.744 Base-Backbone interact. energy: -0.008 local terms energy: -32.889952 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -4.994 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: 4, replica: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -61.185616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.185616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.185616 (E_RNA) where: Base-Base interactions energy: -29.231 where: short stacking energy: -23.998 Base-Backbone interact. energy: -0.000 local terms energy: -31.954371 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -51.129244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.129244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.129244 (E_RNA) where: Base-Base interactions energy: -20.836 where: short stacking energy: -20.836 Base-Backbone interact. energy: -0.000 local terms energy: -30.292775 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: 0.536 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -46.165285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.165285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.165285 (E_RNA) where: Base-Base interactions energy: -16.146 where: short stacking energy: -16.146 Base-Backbone interact. energy: -0.083 local terms energy: -29.936432 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -4.082 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: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -42.893650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.893650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.893650 (E_RNA) where: Base-Base interactions energy: -18.995 where: short stacking energy: -18.995 Base-Backbone interact. energy: -0.050 local terms energy: -23.848108 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -3.000 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -40.633873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.633873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.633873 (E_RNA) where: Base-Base interactions energy: -13.433 where: short stacking energy: -13.424 Base-Backbone interact. energy: 0.143 local terms energy: -27.343216 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -5.454 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -41.155799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.155799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.155799 (E_RNA) where: Base-Base interactions energy: -17.087 where: short stacking energy: -10.886 Base-Backbone interact. energy: -0.001 local terms energy: -24.067221 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.952 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: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -47.251062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.251062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.251062 (E_RNA) where: Base-Base interactions energy: -16.531 where: short stacking energy: -16.531 Base-Backbone interact. energy: -0.001 local terms energy: -30.719241 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -2.124 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: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -58.902020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.902020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.902020 (E_RNA) where: Base-Base interactions energy: -23.841 where: short stacking energy: -23.841 Base-Backbone interact. energy: -0.062 local terms energy: -34.998931 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -5.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -54.670308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.670308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.670308 (E_RNA) where: Base-Base interactions energy: -21.373 where: short stacking energy: -21.373 Base-Backbone interact. energy: -0.118 local terms energy: -33.178966 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -6.909 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: 3, replica: 10 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -55.661314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.661314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.661314 (E_RNA) where: Base-Base interactions energy: -22.027 where: short stacking energy: -22.027 Base-Backbone interact. energy: -0.002 local terms energy: -33.632139 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -4.901 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: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -56.962095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.962095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.962095 (E_RNA) where: Base-Base interactions energy: -26.504 where: short stacking energy: -26.504 Base-Backbone interact. energy: -0.010 local terms energy: -30.448525 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -53.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.280249 (E_RNA) where: Base-Base interactions energy: -23.391 where: short stacking energy: -17.225 Base-Backbone interact. energy: -0.013 local terms energy: -29.876709 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -4.024 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: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -45.415133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.415133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.415133 (E_RNA) where: Base-Base interactions energy: -20.144 where: short stacking energy: -18.756 Base-Backbone interact. energy: -0.006 local terms energy: -25.265572 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -45.804522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.804522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.804522 (E_RNA) where: Base-Base interactions energy: -17.066 where: short stacking energy: -17.066 Base-Backbone interact. energy: -0.104 local terms energy: -28.634345 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -46.748869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.748869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.748869 (E_RNA) where: Base-Base interactions energy: -19.921 where: short stacking energy: -18.062 Base-Backbone interact. energy: 0.864 local terms energy: -27.691070 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -5.173 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: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -45.928625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.928625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.928625 (E_RNA) where: Base-Base interactions energy: -18.854 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.042 local terms energy: -27.032167 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -46.034382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.034382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.034382 (E_RNA) where: Base-Base interactions energy: -15.408 where: short stacking energy: -15.408 Base-Backbone interact. energy: -0.002 local terms energy: -30.623850 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -79.596461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.596461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.596461 (E_RNA) where: Base-Base interactions energy: -43.042 where: short stacking energy: -23.598 Base-Backbone interact. energy: -0.001 local terms energy: -36.553448 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -7.982 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: 381 Temperature: 0.950000 Total energy: -59.745672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.745672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.745672 (E_RNA) where: Base-Base interactions energy: -27.384 where: short stacking energy: -19.714 Base-Backbone interact. energy: -0.024 local terms energy: -32.336798 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -5.997 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: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -76.033805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.033805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.033805 (E_RNA) where: Base-Base interactions energy: -43.210 where: short stacking energy: -21.585 Base-Backbone interact. energy: -0.549 local terms energy: -32.275019 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -5.160 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: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -53.635353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.635353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.635353 (E_RNA) where: Base-Base interactions energy: -23.311 where: short stacking energy: -18.541 Base-Backbone interact. energy: -0.091 local terms energy: -30.232891 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -7.200 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -54.493613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.493613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.493613 (E_RNA) where: Base-Base interactions energy: -25.155 where: short stacking energy: -25.155 Base-Backbone interact. energy: -0.032 local terms energy: -29.306947 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -57.484254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.484254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.484254 (E_RNA) where: Base-Base interactions energy: -21.838 where: short stacking energy: -21.838 Base-Backbone interact. energy: -0.096 local terms energy: -35.550460 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -47.788484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.788484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.788484 (E_RNA) where: Base-Base interactions energy: -23.392 where: short stacking energy: -23.392 Base-Backbone interact. energy: -0.028 local terms energy: -24.369232 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -4.134 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -42.174761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.174761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.174761 (E_RNA) where: Base-Base interactions energy: -16.450 where: short stacking energy: -16.450 Base-Backbone interact. energy: -0.171 local terms energy: -25.553564 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -2.975 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -47.914500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.914500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.914500 (E_RNA) where: Base-Base interactions energy: -29.908 where: short stacking energy: -16.197 Base-Backbone interact. energy: -0.084 local terms energy: -17.922664 where: bonds (distance) C4'-P energy: 1.648 bonds (distance) P-C4' energy: -4.865 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -38.489010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.489010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.489010 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.063 local terms energy: -28.273914 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -5.289 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: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -79.750104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.750104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.750104 (E_RNA) where: Base-Base interactions energy: -44.834 where: short stacking energy: -26.325 Base-Backbone interact. energy: -0.001 local terms energy: -34.915757 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -8.018 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -3.810 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: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -61.534959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.534959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.534959 (E_RNA) where: Base-Base interactions energy: -29.888 where: short stacking energy: -29.888 Base-Backbone interact. energy: -0.013 local terms energy: -31.633727 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -65.982653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.982653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.982653 (E_RNA) where: Base-Base interactions energy: -37.575 where: short stacking energy: -26.621 Base-Backbone interact. energy: -0.013 local terms energy: -28.394891 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -48.914796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.914796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.914796 (E_RNA) where: Base-Base interactions energy: -21.664 where: short stacking energy: -21.654 Base-Backbone interact. energy: -0.015 local terms energy: -27.235825 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -67.776306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.776306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.776306 (E_RNA) where: Base-Base interactions energy: -33.963 where: short stacking energy: -24.618 Base-Backbone interact. energy: -0.015 local terms energy: -33.798576 where: bonds (distance) C4'-P energy: -7.165 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -6.462 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: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -45.668455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.668455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.668455 (E_RNA) where: Base-Base interactions energy: -14.430 where: short stacking energy: -14.430 Base-Backbone interact. energy: 0.171 local terms energy: -31.409064 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -5.197 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: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -37.918713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.918713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.918713 (E_RNA) where: Base-Base interactions energy: -10.738 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.184 local terms energy: -26.997428 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: 2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -42.921894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.921894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.921894 (E_RNA) where: Base-Base interactions energy: -14.728 where: short stacking energy: -14.728 Base-Backbone interact. energy: -0.010 local terms energy: -28.184244 where: bonds (distance) C4'-P energy: -6.788 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.250 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: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -47.447601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.447601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.447601 (E_RNA) where: Base-Base interactions energy: -16.986 where: short stacking energy: -16.986 Base-Backbone interact. energy: -0.043 local terms energy: -30.418405 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -44.081172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.081172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.081172 (E_RNA) where: Base-Base interactions energy: -18.447 where: short stacking energy: -18.317 Base-Backbone interact. energy: -0.001 local terms energy: -25.632908 where: bonds (distance) C4'-P energy: -4.148 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -1.947 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: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -64.284011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.284011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.284011 (E_RNA) where: Base-Base interactions energy: -30.938 where: short stacking energy: -22.026 Base-Backbone interact. energy: -0.332 local terms energy: -33.013723 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -6.560 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: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -79.710809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.710809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.710809 (E_RNA) where: Base-Base interactions energy: -42.377 where: short stacking energy: -26.546 Base-Backbone interact. energy: -0.001 local terms energy: -37.332603 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -7.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -59.843516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.843516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.843516 (E_RNA) where: Base-Base interactions energy: -25.260 where: short stacking energy: -25.260 Base-Backbone interact. energy: -0.009 local terms energy: -34.574291 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -4.248 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: 4, replica: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -59.637043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.637043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.637043 (E_RNA) where: Base-Base interactions energy: -26.127 where: short stacking energy: -26.127 Base-Backbone interact. energy: -0.000 local terms energy: -33.509790 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -1.781 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: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -62.267167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.267167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.267167 (E_RNA) where: Base-Base interactions energy: -28.938 where: short stacking energy: -28.938 Base-Backbone interact. energy: -0.023 local terms energy: -33.305938 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -5.371 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: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -48.094212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.094212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.094212 (E_RNA) where: Base-Base interactions energy: -23.070 where: short stacking energy: -23.070 Base-Backbone interact. energy: -0.001 local terms energy: -25.024144 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.883 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: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -42.184347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.184347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.184347 (E_RNA) where: Base-Base interactions energy: -19.012 where: short stacking energy: -19.012 Base-Backbone interact. energy: -0.087 local terms energy: -23.084893 where: bonds (distance) C4'-P energy: -4.203 bonds (distance) P-C4' energy: -6.403 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -1.680 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: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -45.849646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.849646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.849646 (E_RNA) where: Base-Base interactions energy: -15.056 where: short stacking energy: -15.056 Base-Backbone interact. energy: -0.103 local terms energy: -30.690732 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -5.239 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -48.281257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.281257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.281257 (E_RNA) where: Base-Base interactions energy: -17.032 where: short stacking energy: -17.032 Base-Backbone interact. energy: -0.008 local terms energy: -31.241212 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -5.569 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: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -49.642207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.642207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.642207 (E_RNA) where: Base-Base interactions energy: -17.749 where: short stacking energy: -17.749 Base-Backbone interact. energy: -0.004 local terms energy: -31.889020 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -1.488 tors. eta vs tors. theta energy: -6.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -76.375379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.375379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.375379 (E_RNA) where: Base-Base interactions energy: -40.530 where: short stacking energy: -27.005 Base-Backbone interact. energy: -0.004 local terms energy: -35.841803 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -5.378 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: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -58.374954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.374954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.374954 (E_RNA) where: Base-Base interactions energy: -22.956 where: short stacking energy: -22.956 Base-Backbone interact. energy: -0.000 local terms energy: -35.419095 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -62.146293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.146293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.146293 (E_RNA) where: Base-Base interactions energy: -29.690 where: short stacking energy: -29.690 Base-Backbone interact. energy: -0.000 local terms energy: -32.456219 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -8.521 flat angles P-C4'-P energy: -4.489 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: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -60.166386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.166386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.166386 (E_RNA) where: Base-Base interactions energy: -23.589 where: short stacking energy: -23.589 Base-Backbone interact. energy: -0.000 local terms energy: -36.577721 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -7.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -59.202813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.202813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.202813 (E_RNA) where: Base-Base interactions energy: -24.667 where: short stacking energy: -24.667 Base-Backbone interact. energy: -0.000 local terms energy: -34.535323 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -51.661740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.661740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.661740 (E_RNA) where: Base-Base interactions energy: -28.701 where: short stacking energy: -16.599 Base-Backbone interact. energy: -0.023 local terms energy: -22.938095 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -0.438 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -44.875197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.875197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.875197 (E_RNA) where: Base-Base interactions energy: -17.621 where: short stacking energy: -17.543 Base-Backbone interact. energy: 0.137 local terms energy: -27.391202 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -1.934 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: 8, replica: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -41.965299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.965299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.965299 (E_RNA) where: Base-Base interactions energy: -14.808 where: short stacking energy: -14.808 Base-Backbone interact. energy: -0.095 local terms energy: -27.062593 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -43.931699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.931699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.931699 (E_RNA) where: Base-Base interactions energy: -20.631 where: short stacking energy: -8.719 Base-Backbone interact. energy: -0.128 local terms energy: -23.172139 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: 1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -42.666276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.666276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.666276 (E_RNA) where: Base-Base interactions energy: -15.643 where: short stacking energy: -15.131 Base-Backbone interact. energy: -0.147 local terms energy: -26.875794 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.125 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -81.656611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.656611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.656611 (E_RNA) where: Base-Base interactions energy: -44.296 where: short stacking energy: -32.385 Base-Backbone interact. energy: -0.000 local terms energy: -37.360246 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.768 flat angles P-C4'-P energy: -5.983 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: 2, replica: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -58.477428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.477428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.477428 (E_RNA) where: Base-Base interactions energy: -22.475 where: short stacking energy: -22.475 Base-Backbone interact. energy: -0.000 local terms energy: -36.002431 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -57.508368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.508368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.508368 (E_RNA) where: Base-Base interactions energy: -24.652 where: short stacking energy: -24.652 Base-Backbone interact. energy: -0.000 local terms energy: -32.856004 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -59.720516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.720516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.720516 (E_RNA) where: Base-Base interactions energy: -24.731 where: short stacking energy: -24.731 Base-Backbone interact. energy: -0.006 local terms energy: -34.983533 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -7.222 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: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -60.727354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.727354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.727354 (E_RNA) where: Base-Base interactions energy: -21.762 where: short stacking energy: -21.310 Base-Backbone interact. energy: -0.045 local terms energy: -38.920274 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -7.846 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: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -49.515001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.515001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.515001 (E_RNA) where: Base-Base interactions energy: -17.656 where: short stacking energy: -17.656 Base-Backbone interact. energy: -0.013 local terms energy: -31.846119 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -46.928527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.928527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.928527 (E_RNA) where: Base-Base interactions energy: -14.504 where: short stacking energy: -14.451 Base-Backbone interact. energy: -0.002 local terms energy: -32.423063 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -47.033560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.033560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.033560 (E_RNA) where: Base-Base interactions energy: -14.428 where: short stacking energy: -14.428 Base-Backbone interact. energy: -0.028 local terms energy: -32.577070 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -39.990565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.990565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.990565 (E_RNA) where: Base-Base interactions energy: -13.706 where: short stacking energy: -8.439 Base-Backbone interact. energy: -1.263 local terms energy: -25.021245 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: 2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -37.478123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.478123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.478123 (E_RNA) where: Base-Base interactions energy: -11.246 where: short stacking energy: -10.393 Base-Backbone interact. energy: 0.717 local terms energy: -26.949398 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -4.780 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: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -80.314148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.314148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.314148 (E_RNA) where: Base-Base interactions energy: -45.321 where: short stacking energy: -26.065 Base-Backbone interact. energy: -0.008 local terms energy: -34.984515 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -63.226513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.226513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.226513 (E_RNA) where: Base-Base interactions energy: -29.167 where: short stacking energy: -29.167 Base-Backbone interact. energy: -0.000 local terms energy: -34.059030 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -6.076 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: 3, replica: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -64.720267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.720267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.720267 (E_RNA) where: Base-Base interactions energy: -28.878 where: short stacking energy: -28.878 Base-Backbone interact. energy: -0.002 local terms energy: -35.840470 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -7.086 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -9.666 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: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -57.719882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.719882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.719882 (E_RNA) where: Base-Base interactions energy: -26.996 where: short stacking energy: -26.996 Base-Backbone interact. energy: -0.000 local terms energy: -30.723060 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -5.603 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: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -54.178102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.178102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.178102 (E_RNA) where: Base-Base interactions energy: -25.295 where: short stacking energy: -16.182 Base-Backbone interact. energy: -0.172 local terms energy: -28.710663 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.202 flat angles P-C4'-P energy: -6.194 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -51.594246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.594246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.594246 (E_RNA) where: Base-Base interactions energy: -19.138 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.000 local terms energy: -32.456221 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -55.607051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.607051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.607051 (E_RNA) where: Base-Base interactions energy: -22.492 where: short stacking energy: -22.492 Base-Backbone interact. energy: -0.004 local terms energy: -33.111251 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -44.249005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.249005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.249005 (E_RNA) where: Base-Base interactions energy: -15.775 where: short stacking energy: -15.775 Base-Backbone interact. energy: 0.028 local terms energy: -28.502261 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -1.091 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: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -42.299075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.299075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.299075 (E_RNA) where: Base-Base interactions energy: -19.261 where: short stacking energy: -19.261 Base-Backbone interact. energy: -0.000 local terms energy: -23.038028 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.404 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: 386 Temperature: 1.350000 Total energy: -40.262231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.262231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.262231 (E_RNA) where: Base-Base interactions energy: -13.603 where: short stacking energy: -13.603 Base-Backbone interact. energy: -0.017 local terms energy: -26.642375 where: bonds (distance) C4'-P energy: -3.087 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -65.611290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.611290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.611290 (E_RNA) where: Base-Base interactions energy: -33.254 where: short stacking energy: -18.786 Base-Backbone interact. energy: -0.004 local terms energy: -32.353315 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -58.912248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.912248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.912248 (E_RNA) where: Base-Base interactions energy: -22.491 where: short stacking energy: -22.491 Base-Backbone interact. energy: -0.000 local terms energy: -36.420864 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -48.334841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.334841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.334841 (E_RNA) where: Base-Base interactions energy: -18.517 where: short stacking energy: -18.517 Base-Backbone interact. energy: -0.002 local terms energy: -29.815093 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.211 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: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -53.944641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.944641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.944641 (E_RNA) where: Base-Base interactions energy: -23.839 where: short stacking energy: -16.678 Base-Backbone interact. energy: -0.901 local terms energy: -29.205456 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -49.843135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.843135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.843135 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -16.669 Base-Backbone interact. energy: -0.113 local terms energy: -33.061185 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -6.437 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: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -54.641040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.641040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.641040 (E_RNA) where: Base-Base interactions energy: -23.001 where: short stacking energy: -23.001 Base-Backbone interact. energy: -0.000 local terms energy: -31.640096 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -1.738 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: 7, replica: 3 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -50.510967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.510967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.510967 (E_RNA) where: Base-Base interactions energy: -17.306 where: short stacking energy: -17.306 Base-Backbone interact. energy: -0.000 local terms energy: -33.204306 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -2.008 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: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -44.062076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.062076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.062076 (E_RNA) where: Base-Base interactions energy: -19.961 where: short stacking energy: -15.813 Base-Backbone interact. energy: -0.012 local terms energy: -24.089404 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.697 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: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -42.985853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.985853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.985853 (E_RNA) where: Base-Base interactions energy: -14.952 where: short stacking energy: -14.952 Base-Backbone interact. energy: -0.059 local terms energy: -27.975195 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -1.221 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: 387 Temperature: 1.350000 Total energy: -43.464047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.464047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.464047 (E_RNA) where: Base-Base interactions energy: -19.578 where: short stacking energy: -19.578 Base-Backbone interact. energy: -0.086 local terms energy: -23.799697 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.109 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: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -71.931788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.931788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.931788 (E_RNA) where: Base-Base interactions energy: -36.520 where: short stacking energy: -21.183 Base-Backbone interact. energy: -0.094 local terms energy: -35.317727 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -4.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -61.589864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.589864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.589864 (E_RNA) where: Base-Base interactions energy: -24.974 where: short stacking energy: -24.974 Base-Backbone interact. energy: -0.000 local terms energy: -36.616178 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -4.471 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: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -55.108943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.108943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.108943 (E_RNA) where: Base-Base interactions energy: -21.723 where: short stacking energy: -18.224 Base-Backbone interact. energy: -0.354 local terms energy: -33.031709 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -51.851167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.851167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.851167 (E_RNA) where: Base-Base interactions energy: -26.238 where: short stacking energy: -23.804 Base-Backbone interact. energy: -0.047 local terms energy: -25.565714 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -0.932 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -51.273608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.273608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.273608 (E_RNA) where: Base-Base interactions energy: -19.360 where: short stacking energy: -19.360 Base-Backbone interact. energy: -0.065 local terms energy: -31.849150 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -3.187 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: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -46.856461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.856461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.856461 (E_RNA) where: Base-Base interactions energy: -16.383 where: short stacking energy: -16.383 Base-Backbone interact. energy: 0.197 local terms energy: -30.670150 where: bonds (distance) C4'-P energy: -4.043 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -4.200 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: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -50.274897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.274897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.274897 (E_RNA) where: Base-Base interactions energy: -21.041 where: short stacking energy: -21.041 Base-Backbone interact. energy: -0.000 local terms energy: -29.233795 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -5.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -39.446524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.446524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.446524 (E_RNA) where: Base-Base interactions energy: -11.062 where: short stacking energy: -11.062 Base-Backbone interact. energy: -0.107 local terms energy: -28.278420 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -47.376782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.376782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.376782 (E_RNA) where: Base-Base interactions energy: -17.562 where: short stacking energy: -17.562 Base-Backbone interact. energy: -0.000 local terms energy: -29.814415 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -2.397 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: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -45.610955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.610955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.610955 (E_RNA) where: Base-Base interactions energy: -21.892 where: short stacking energy: -16.009 Base-Backbone interact. energy: -0.024 local terms energy: -23.695318 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -1.119 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -66.561571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.561571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.561571 (E_RNA) where: Base-Base interactions energy: -37.002 where: short stacking energy: -22.617 Base-Backbone interact. energy: -0.001 local terms energy: -29.557678 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -4.597 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -3.208 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: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -62.359150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.359150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.359150 (E_RNA) where: Base-Base interactions energy: -25.731 where: short stacking energy: -25.831 Base-Backbone interact. energy: -0.000 local terms energy: -36.628316 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -5.176 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: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -67.790746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.790746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.790746 (E_RNA) where: Base-Base interactions energy: -33.813 where: short stacking energy: -21.455 Base-Backbone interact. energy: -0.122 local terms energy: -33.855751 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -55.847419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.847419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.847419 (E_RNA) where: Base-Base interactions energy: -22.877 where: short stacking energy: -22.877 Base-Backbone interact. energy: -0.002 local terms energy: -32.968893 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.332 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -6.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -56.512300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.512300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.512300 (E_RNA) where: Base-Base interactions energy: -22.657 where: short stacking energy: -22.657 Base-Backbone interact. energy: -1.004 local terms energy: -32.851837 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -5.122 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: 6, replica: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -59.022188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.022188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.022188 (E_RNA) where: Base-Base interactions energy: -25.832 where: short stacking energy: -25.832 Base-Backbone interact. energy: -0.003 local terms energy: -33.186340 where: bonds (distance) C4'-P energy: -7.733 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -6.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -43.510068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.510068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.510068 (E_RNA) where: Base-Base interactions energy: -17.236 where: short stacking energy: -17.236 Base-Backbone interact. energy: -0.023 local terms energy: -26.250914 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -2.434 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: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -43.372970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.372970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.372970 (E_RNA) where: Base-Base interactions energy: -20.241 where: short stacking energy: -11.375 Base-Backbone interact. energy: -0.234 local terms energy: -22.898676 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -2.772 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: 9, replica: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -46.293479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.293479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.293479 (E_RNA) where: Base-Base interactions energy: -19.094 where: short stacking energy: -18.570 Base-Backbone interact. energy: -0.001 local terms energy: -27.198169 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -41.888417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.888417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.888417 (E_RNA) where: Base-Base interactions energy: -14.377 where: short stacking energy: -13.138 Base-Backbone interact. energy: -0.094 local terms energy: -27.417870 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -68.061334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.061334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.061334 (E_RNA) where: Base-Base interactions energy: -32.152 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.000 local terms energy: -35.909085 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -7.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -61.040401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.040401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.040401 (E_RNA) where: Base-Base interactions energy: -28.272 where: short stacking energy: -25.198 Base-Backbone interact. energy: -0.015 local terms energy: -32.753520 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -60.086373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.086373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.086373 (E_RNA) where: Base-Base interactions energy: -22.112 where: short stacking energy: -22.112 Base-Backbone interact. energy: -0.001 local terms energy: -37.973610 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -8.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -49.583368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.583368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.583368 (E_RNA) where: Base-Base interactions energy: -15.488 where: short stacking energy: -15.488 Base-Backbone interact. energy: -0.007 local terms energy: -34.088421 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -53.764556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.764556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.764556 (E_RNA) where: Base-Base interactions energy: -21.257 where: short stacking energy: -21.257 Base-Backbone interact. energy: -0.000 local terms energy: -32.507590 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -4.292 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: 6, replica: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -58.646556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.646556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.646556 (E_RNA) where: Base-Base interactions energy: -29.121 where: short stacking energy: -18.664 Base-Backbone interact. energy: -0.049 local terms energy: -29.477403 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.093 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: 390 Temperature: 1.200000 Total energy: -47.429016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.429016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.429016 (E_RNA) where: Base-Base interactions energy: -19.657 where: short stacking energy: -18.919 Base-Backbone interact. energy: -0.000 local terms energy: -27.771514 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -5.863 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -46.608961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.608961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.608961 (E_RNA) where: Base-Base interactions energy: -20.496 where: short stacking energy: -20.182 Base-Backbone interact. energy: -0.001 local terms energy: -26.111232 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -47.685286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.685286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.685286 (E_RNA) where: Base-Base interactions energy: -21.308 where: short stacking energy: -21.308 Base-Backbone interact. energy: -0.066 local terms energy: -26.311721 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -37.534300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.534300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.534300 (E_RNA) where: Base-Base interactions energy: -8.928 where: short stacking energy: -8.928 Base-Backbone interact. energy: -0.016 local terms energy: -28.589525 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -4.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -70.159270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.159270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.159270 (E_RNA) where: Base-Base interactions energy: -35.513 where: short stacking energy: -18.977 Base-Backbone interact. energy: -0.014 local terms energy: -34.632180 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -71.141240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.141240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.141240 (E_RNA) where: Base-Base interactions energy: -44.178 where: short stacking energy: -22.496 Base-Backbone interact. energy: -0.109 local terms energy: -26.854869 where: bonds (distance) C4'-P energy: -4.072 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -63.883511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.883511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.883511 (E_RNA) where: Base-Base interactions energy: -28.178 where: short stacking energy: -22.767 Base-Backbone interact. energy: -0.000 local terms energy: -35.705294 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -4.682 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: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -56.770811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.770811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.770811 (E_RNA) where: Base-Base interactions energy: -19.674 where: short stacking energy: -19.674 Base-Backbone interact. energy: -0.023 local terms energy: -37.074706 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -7.127 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: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -50.910553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.910553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.910553 (E_RNA) where: Base-Base interactions energy: -18.964 where: short stacking energy: -18.964 Base-Backbone interact. energy: -0.046 local terms energy: -31.900836 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -56.549328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.549328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.549328 (E_RNA) where: Base-Base interactions energy: -24.776 where: short stacking energy: -24.776 Base-Backbone interact. energy: -0.000 local terms energy: -31.772890 where: bonds (distance) C4'-P energy: -2.513 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -8.917 flat angles P-C4'-P energy: -5.787 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: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -49.590393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.590393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.590393 (E_RNA) where: Base-Base interactions energy: -18.629 where: short stacking energy: -15.532 Base-Backbone interact. energy: -0.003 local terms energy: -30.958878 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -4.911 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: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -53.537666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.537666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.537666 (E_RNA) where: Base-Base interactions energy: -26.868 where: short stacking energy: -24.388 Base-Backbone interact. energy: -0.114 local terms energy: -26.555300 where: bonds (distance) C4'-P energy: -7.146 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -48.680313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.680313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.680313 (E_RNA) where: Base-Base interactions energy: -19.912 where: short stacking energy: -18.449 Base-Backbone interact. energy: -0.255 local terms energy: -28.514092 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -2.180 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -43.007714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.007714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.007714 (E_RNA) where: Base-Base interactions energy: -14.418 where: short stacking energy: -14.418 Base-Backbone interact. energy: -0.003 local terms energy: -28.586602 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -77.369243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.369243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.369243 (E_RNA) where: Base-Base interactions energy: -45.612 where: short stacking energy: -27.444 Base-Backbone interact. energy: -0.016 local terms energy: -31.741127 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -68.759998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.759998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.759998 (E_RNA) where: Base-Base interactions energy: -38.248 where: short stacking energy: -19.181 Base-Backbone interact. energy: -0.018 local terms energy: -30.493876 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -9.374 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -59.909338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.909338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.909338 (E_RNA) where: Base-Base interactions energy: -22.071 where: short stacking energy: -22.071 Base-Backbone interact. energy: -0.018 local terms energy: -37.821050 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -9.483 flat angles P-C4'-P energy: -3.948 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: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -62.787685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.787685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.787685 (E_RNA) where: Base-Base interactions energy: -33.511 where: short stacking energy: -28.792 Base-Backbone interact. energy: -0.004 local terms energy: -29.272353 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.244 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -3.986 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: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -61.816786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.816786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.816786 (E_RNA) where: Base-Base interactions energy: -24.884 where: short stacking energy: -24.716 Base-Backbone interact. energy: -0.002 local terms energy: -36.930215 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -6.823 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: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -50.263410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.263410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.263410 (E_RNA) where: Base-Base interactions energy: -21.123 where: short stacking energy: -21.123 Base-Backbone interact. energy: -0.017 local terms energy: -29.123888 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -2.748 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: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -58.213993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.213993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.213993 (E_RNA) where: Base-Base interactions energy: -24.932 where: short stacking energy: -24.932 Base-Backbone interact. energy: -0.000 local terms energy: -33.282294 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.989 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: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -41.564659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.564659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.564659 (E_RNA) where: Base-Base interactions energy: -18.026 where: short stacking energy: -15.347 Base-Backbone interact. energy: -0.172 local terms energy: -23.366083 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -7.077 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -1.991 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: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -38.390741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.390741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.390741 (E_RNA) where: Base-Base interactions energy: -13.106 where: short stacking energy: -13.106 Base-Backbone interact. energy: -0.184 local terms energy: -25.100360 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -41.136805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.136805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.136805 (E_RNA) where: Base-Base interactions energy: -16.575 where: short stacking energy: -16.575 Base-Backbone interact. energy: -0.001 local terms energy: -24.560708 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -1.878 tors. eta vs tors. theta energy: -2.586 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: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -72.659746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.659746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.659746 (E_RNA) where: Base-Base interactions energy: -37.237 where: short stacking energy: -24.131 Base-Backbone interact. energy: -0.009 local terms energy: -35.413572 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -9.452 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -58.425055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.425055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.425055 (E_RNA) where: Base-Base interactions energy: -26.458 where: short stacking energy: -26.458 Base-Backbone interact. energy: -0.000 local terms energy: -31.966713 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.703 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: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -59.180830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.180830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.180830 (E_RNA) where: Base-Base interactions energy: -27.067 where: short stacking energy: -27.067 Base-Backbone interact. energy: -0.002 local terms energy: -32.111266 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -58.161733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.161733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.161733 (E_RNA) where: Base-Base interactions energy: -24.773 where: short stacking energy: -20.371 Base-Backbone interact. energy: -0.031 local terms energy: -33.357679 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.288 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -5.434 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: 5, replica: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -49.690026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.690026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.690026 (E_RNA) where: Base-Base interactions energy: -17.619 where: short stacking energy: -17.619 Base-Backbone interact. energy: -0.100 local terms energy: -31.970656 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -51.013862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.013862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.013862 (E_RNA) where: Base-Base interactions energy: -23.840 where: short stacking energy: -23.677 Base-Backbone interact. energy: -0.000 local terms energy: -27.173744 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -1.853 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: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -47.076391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.076391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.076391 (E_RNA) where: Base-Base interactions energy: -20.671 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.123 local terms energy: -26.282129 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: 1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -43.612351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.612351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.612351 (E_RNA) where: Base-Base interactions energy: -21.948 where: short stacking energy: -12.534 Base-Backbone interact. energy: -0.168 local terms energy: -21.496649 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -0.056 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -46.431930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.431930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.431930 (E_RNA) where: Base-Base interactions energy: -16.982 where: short stacking energy: -16.982 Base-Backbone interact. energy: -0.340 local terms energy: -29.110135 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -44.018661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.018661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.018661 (E_RNA) where: Base-Base interactions energy: -13.325 where: short stacking energy: -13.325 Base-Backbone interact. energy: -0.032 local terms energy: -30.660828 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -7.686 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: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -67.780046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.780046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.780046 (E_RNA) where: Base-Base interactions energy: -31.560 where: short stacking energy: -27.285 Base-Backbone interact. energy: -0.010 local terms energy: -36.210290 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -8.491 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: 2, replica: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -74.558861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.558861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.558861 (E_RNA) where: Base-Base interactions energy: -33.827 where: short stacking energy: -32.745 Base-Backbone interact. energy: -0.000 local terms energy: -40.731600 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.741 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -9.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -54.533974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.533974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.533974 (E_RNA) where: Base-Base interactions energy: -22.716 where: short stacking energy: -22.716 Base-Backbone interact. energy: -0.009 local terms energy: -31.809674 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -63.571204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.571204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.571204 (E_RNA) where: Base-Base interactions energy: -28.274 where: short stacking energy: -28.274 Base-Backbone interact. energy: -0.106 local terms energy: -35.190848 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.986 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -7.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -61.874807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.874807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.874807 (E_RNA) where: Base-Base interactions energy: -30.354 where: short stacking energy: -24.263 Base-Backbone interact. energy: -0.485 local terms energy: -31.036124 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -5.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -53.141160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.141160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.141160 (E_RNA) where: Base-Base interactions energy: -21.666 where: short stacking energy: -21.666 Base-Backbone interact. energy: -0.028 local terms energy: -31.447546 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -48.212647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.212647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.212647 (E_RNA) where: Base-Base interactions energy: -17.809 where: short stacking energy: -17.809 Base-Backbone interact. energy: -0.837 local terms energy: -29.566655 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -4.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -56.350627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.350627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.350627 (E_RNA) where: Base-Base interactions energy: -21.487 where: short stacking energy: -21.102 Base-Backbone interact. energy: -0.003 local terms energy: -34.860547 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -5.995 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: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -40.909892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.909892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.909892 (E_RNA) where: Base-Base interactions energy: -18.638 where: short stacking energy: -18.638 Base-Backbone interact. energy: -0.004 local terms energy: -22.268692 where: bonds (distance) C4'-P energy: -1.706 bonds (distance) P-C4' energy: -5.288 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -3.609 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: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -40.915793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.915793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.915793 (E_RNA) where: Base-Base interactions energy: -19.768 where: short stacking energy: -18.610 Base-Backbone interact. energy: 5.821 local terms energy: -26.969388 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -9.085 flat angles P-C4'-P energy: -0.345 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -80.174334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.174334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.174334 (E_RNA) where: Base-Base interactions energy: -43.421 where: short stacking energy: -30.044 Base-Backbone interact. energy: -0.000 local terms energy: -36.752811 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -64.658172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.658172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.658172 (E_RNA) where: Base-Base interactions energy: -29.607 where: short stacking energy: -29.607 Base-Backbone interact. energy: -0.010 local terms energy: -35.041568 where: bonds (distance) C4'-P energy: -6.520 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -7.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -69.456690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.456690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.456690 (E_RNA) where: Base-Base interactions energy: -35.044 where: short stacking energy: -30.469 Base-Backbone interact. energy: -0.001 local terms energy: -34.412164 where: bonds (distance) C4'-P energy: -4.156 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -7.759 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: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -60.813994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.813994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.813994 (E_RNA) where: Base-Base interactions energy: -27.965 where: short stacking energy: -27.965 Base-Backbone interact. energy: -0.000 local terms energy: -32.848454 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -6.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -55.893471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.893471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.893471 (E_RNA) where: Base-Base interactions energy: -27.111 where: short stacking energy: -21.861 Base-Backbone interact. energy: -0.000 local terms energy: -28.782881 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -4.569 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: 3 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -52.773086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.773086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.773086 (E_RNA) where: Base-Base interactions energy: -20.530 where: short stacking energy: -20.403 Base-Backbone interact. energy: -0.603 local terms energy: -31.639764 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.028 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: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -43.769129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.769129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.769129 (E_RNA) where: Base-Base interactions energy: -22.800 where: short stacking energy: -13.465 Base-Backbone interact. energy: -0.003 local terms energy: -20.965735 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.616 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -4.320 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: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -49.352339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.352339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.352339 (E_RNA) where: Base-Base interactions energy: -18.088 where: short stacking energy: -18.088 Base-Backbone interact. energy: -0.033 local terms energy: -31.231266 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -5.142 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -6.963 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: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -42.116412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.116412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.116412 (E_RNA) where: Base-Base interactions energy: -14.397 where: short stacking energy: -14.397 Base-Backbone interact. energy: -0.096 local terms energy: -27.623357 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -50.461439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.461439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.461439 (E_RNA) where: Base-Base interactions energy: -18.787 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.059 local terms energy: -31.615473 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -66.556997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.556997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.556997 (E_RNA) where: Base-Base interactions energy: -31.306 where: short stacking energy: -31.306 Base-Backbone interact. energy: -0.000 local terms energy: -35.250917 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -7.496 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: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -75.416549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.416549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.416549 (E_RNA) where: Base-Base interactions energy: -37.805 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.000 local terms energy: -37.611257 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -6.527 tors. eta vs tors. theta energy: -7.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -72.632330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.632330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.632330 (E_RNA) where: Base-Base interactions energy: -37.227 where: short stacking energy: -21.632 Base-Backbone interact. energy: -0.000 local terms energy: -35.405503 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -53.158233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.158233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.158233 (E_RNA) where: Base-Base interactions energy: -20.158 where: short stacking energy: -20.158 Base-Backbone interact. energy: -0.000 local terms energy: -32.999809 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -51.336068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.336068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.336068 (E_RNA) where: Base-Base interactions energy: -22.001 where: short stacking energy: -17.933 Base-Backbone interact. energy: 0.770 local terms energy: -30.104890 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -5.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -48.452293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.452293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.452293 (E_RNA) where: Base-Base interactions energy: -13.419 where: short stacking energy: -13.419 Base-Backbone interact. energy: -0.056 local terms energy: -34.977538 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -5.913 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: 396 Temperature: 1.200000 Total energy: -47.796159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.796159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.796159 (E_RNA) where: Base-Base interactions energy: -21.182 where: short stacking energy: -21.182 Base-Backbone interact. energy: -0.000 local terms energy: -26.614007 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -40.017364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.017364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.017364 (E_RNA) where: Base-Base interactions energy: -17.859 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.004 local terms energy: -22.154500 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -1.488 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: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -45.227105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.227105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.227105 (E_RNA) where: Base-Base interactions energy: -13.043 where: short stacking energy: -13.043 Base-Backbone interact. energy: -0.115 local terms energy: -32.069062 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -45.984819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.984819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.984819 (E_RNA) where: Base-Base interactions energy: -16.535 where: short stacking energy: -16.535 Base-Backbone interact. energy: -0.010 local terms energy: -29.439976 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -5.592 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: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -59.576642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.576642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.576642 (E_RNA) where: Base-Base interactions energy: -24.290 where: short stacking energy: -24.290 Base-Backbone interact. energy: -0.048 local terms energy: -35.238323 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -6.206 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: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -61.745437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.745437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.745437 (E_RNA) where: Base-Base interactions energy: -28.426 where: short stacking energy: -24.720 Base-Backbone interact. energy: -0.011 local terms energy: -33.308176 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.424 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: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -53.546689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.546689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.546689 (E_RNA) where: Base-Base interactions energy: -22.144 where: short stacking energy: -18.220 Base-Backbone interact. energy: -0.100 local terms energy: -31.302516 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -55.144935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.144935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.144935 (E_RNA) where: Base-Base interactions energy: -22.599 where: short stacking energy: -22.599 Base-Backbone interact. energy: -0.014 local terms energy: -32.531934 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -48.272012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.272012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.272012 (E_RNA) where: Base-Base interactions energy: -19.581 where: short stacking energy: -17.900 Base-Backbone interact. energy: -0.069 local terms energy: -28.621419 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -51.442424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.442424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.442424 (E_RNA) where: Base-Base interactions energy: -20.614 where: short stacking energy: -20.614 Base-Backbone interact. energy: -0.007 local terms energy: -30.821814 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -6.669 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: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -48.784018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.784018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.784018 (E_RNA) where: Base-Base interactions energy: -17.764 where: short stacking energy: -17.764 Base-Backbone interact. energy: -0.000 local terms energy: -31.019964 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -5.493 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: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -47.503590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.503590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.503590 (E_RNA) where: Base-Base interactions energy: -16.467 where: short stacking energy: -16.467 Base-Backbone interact. energy: -0.000 local terms energy: -31.036903 where: bonds (distance) C4'-P energy: -5.331 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -4.612 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: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -42.845657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.845657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.845657 (E_RNA) where: Base-Base interactions energy: -15.346 where: short stacking energy: -15.346 Base-Backbone interact. energy: -0.074 local terms energy: -27.425940 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -5.999 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: 10, replica: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -46.655030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.655030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.655030 (E_RNA) where: Base-Base interactions energy: -19.296 where: short stacking energy: -19.296 Base-Backbone interact. energy: -0.000 local terms energy: -27.358689 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.112 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: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -73.028245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.028245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.028245 (E_RNA) where: Base-Base interactions energy: -40.409 where: short stacking energy: -23.490 Base-Backbone interact. energy: -0.025 local terms energy: -32.593814 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -65.202341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.202341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.202341 (E_RNA) where: Base-Base interactions energy: -28.330 where: short stacking energy: -28.330 Base-Backbone interact. energy: -0.000 local terms energy: -36.871651 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -5.323 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: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -65.235607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.235607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.235607 (E_RNA) where: Base-Base interactions energy: -27.729 where: short stacking energy: -27.391 Base-Backbone interact. energy: -0.000 local terms energy: -37.506341 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -8.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -56.977202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.977202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.977202 (E_RNA) where: Base-Base interactions energy: -23.707 where: short stacking energy: -23.707 Base-Backbone interact. energy: -0.289 local terms energy: -32.980757 where: bonds (distance) C4'-P energy: -8.407 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -5.376 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: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -57.617902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.617902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.617902 (E_RNA) where: Base-Base interactions energy: -33.819 where: short stacking energy: -15.854 Base-Backbone interact. energy: -0.045 local terms energy: -23.753953 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -0.503 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -46.755318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.755318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.755318 (E_RNA) where: Base-Base interactions energy: -18.182 where: short stacking energy: -18.182 Base-Backbone interact. energy: -0.004 local terms energy: -28.568727 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -3.194 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: 7, replica: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -51.176062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.176062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.176062 (E_RNA) where: Base-Base interactions energy: -25.888 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.184 local terms energy: -25.103888 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -50.520814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.520814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.520814 (E_RNA) where: Base-Base interactions energy: -24.505 where: short stacking energy: -18.048 Base-Backbone interact. energy: -0.034 local terms energy: -25.981564 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -40.697730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.697730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.697730 (E_RNA) where: Base-Base interactions energy: -15.459 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.088 local terms energy: -25.150301 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -5.380 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -38.424378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.424378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.424378 (E_RNA) where: Base-Base interactions energy: -15.347 where: short stacking energy: -13.617 Base-Backbone interact. energy: -0.011 local terms energy: -23.066859 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -4.096 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) out arg RESULTS//1/RNA-BYH-6b664b3d_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: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -76.176883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.176883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.176883 (E_RNA) where: Base-Base interactions energy: -46.254 where: short stacking energy: -26.053 Base-Backbone interact. energy: -0.030 local terms energy: -29.892839 where: bonds (distance) C4'-P energy: -6.233 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -2.743 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: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -64.770921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.770921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.770921 (E_RNA) where: Base-Base interactions energy: -28.963 where: short stacking energy: -28.963 Base-Backbone interact. energy: -0.001 local terms energy: -35.807073 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -5.869 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: 3, replica: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -59.346889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.346889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.346889 (E_RNA) where: Base-Base interactions energy: -27.272 where: short stacking energy: -25.049 Base-Backbone interact. energy: -0.014 local terms energy: -32.061070 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -4.902 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -51.231827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.231827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.231827 (E_RNA) where: Base-Base interactions energy: -21.331 where: short stacking energy: -21.331 Base-Backbone interact. energy: -0.076 local terms energy: -29.824162 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -56.126663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.126663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.126663 (E_RNA) where: Base-Base interactions energy: -19.840 where: short stacking energy: -19.840 Base-Backbone interact. energy: -0.007 local terms energy: -36.279407 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -6.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -47.181784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.181784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.181784 (E_RNA) where: Base-Base interactions energy: -17.489 where: short stacking energy: -17.489 Base-Backbone interact. energy: -0.108 local terms energy: -29.584713 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -58.446813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.446813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.446813 (E_RNA) where: Base-Base interactions energy: -26.521 where: short stacking energy: -26.521 Base-Backbone interact. energy: -0.001 local terms energy: -31.924600 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -2.244 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: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -47.372623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.372623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.372623 (E_RNA) where: Base-Base interactions energy: -16.614 where: short stacking energy: -16.614 Base-Backbone interact. energy: -0.001 local terms energy: -30.757250 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -43.036917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.036917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.036917 (E_RNA) where: Base-Base interactions energy: -18.335 where: short stacking energy: -18.335 Base-Backbone interact. energy: 0.534 local terms energy: -25.236015 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -38.885927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.885927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.885927 (E_RNA) where: Base-Base interactions energy: -15.281 where: short stacking energy: -15.281 Base-Backbone interact. energy: -0.292 local terms energy: -23.313247 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -2.142 flat angles P-C4'-P energy: -0.579 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)