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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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/Prova-6b341885/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Prova-6b341885/inputs/seq.fa: 1 curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUG 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 35 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: 180 n_atoms_counter: 180 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 35.000000 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: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -126.929654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.929654 (E_RNA) where: Base-Base interactions energy: 2.946 where: short stacking energy: 2.946 Base-Backbone interact. energy: -0.000 local terms energy: -129.875656 where: bonds (distance) C4'-P energy: -34.005 bonds (distance) P-C4' energy: -32.207 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -203.700637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.700637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.700637 (E_RNA) where: Base-Base interactions energy: -100.393 where: short stacking energy: -100.393 Base-Backbone interact. energy: -0.276 local terms energy: -103.031401 where: bonds (distance) C4'-P energy: -24.601 bonds (distance) P-C4' energy: -19.901 flat angles C4'-P-C4' energy: -29.339 flat angles P-C4'-P energy: -13.285 tors. eta vs tors. theta energy: -15.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -213.529339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.529339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.529339 (E_RNA) where: Base-Base interactions energy: -102.051 where: short stacking energy: -82.101 Base-Backbone interact. energy: -1.229 local terms energy: -110.248843 where: bonds (distance) C4'-P energy: -22.454 bonds (distance) P-C4' energy: -28.903 flat angles C4'-P-C4' energy: -21.957 flat angles P-C4'-P energy: -20.672 tors. eta vs tors. theta energy: -16.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -182.258044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.258044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.258044 (E_RNA) where: Base-Base interactions energy: -80.309 where: short stacking energy: -77.605 Base-Backbone interact. energy: -0.051 local terms energy: -101.898286 where: bonds (distance) C4'-P energy: -22.976 bonds (distance) P-C4' energy: -28.541 flat angles C4'-P-C4' energy: -21.471 flat angles P-C4'-P energy: -14.821 tors. eta vs tors. theta energy: -14.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -168.685504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.685504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.685504 (E_RNA) where: Base-Base interactions energy: -79.735 where: short stacking energy: -79.735 Base-Backbone interact. energy: 0.217 local terms energy: -89.168062 where: bonds (distance) C4'-P energy: -11.771 bonds (distance) P-C4' energy: -20.994 flat angles C4'-P-C4' energy: -22.126 flat angles P-C4'-P energy: -15.842 tors. eta vs tors. theta energy: -18.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -163.211933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.211933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.211933 (E_RNA) where: Base-Base interactions energy: -68.571 where: short stacking energy: -65.828 Base-Backbone interact. energy: -0.333 local terms energy: -94.308518 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -26.083 flat angles C4'-P-C4' energy: -26.280 flat angles P-C4'-P energy: -14.470 tors. eta vs tors. theta energy: -13.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -171.935570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.935570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.935570 (E_RNA) where: Base-Base interactions energy: -96.812 where: short stacking energy: -58.068 Base-Backbone interact. energy: -0.256 local terms energy: -74.867872 where: bonds (distance) C4'-P energy: -17.037 bonds (distance) P-C4' energy: -16.971 flat angles C4'-P-C4' energy: -22.849 flat angles P-C4'-P energy: -9.578 tors. eta vs tors. theta energy: -8.433 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -158.274361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.274361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.274361 (E_RNA) where: Base-Base interactions energy: -76.183 where: short stacking energy: -72.649 Base-Backbone interact. energy: -0.212 local terms energy: -81.879964 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -28.147 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -18.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -138.981415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.981415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.981415 (E_RNA) where: Base-Base interactions energy: -59.348 where: short stacking energy: -57.912 Base-Backbone interact. energy: 0.356 local terms energy: -79.988586 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -25.059 flat angles C4'-P-C4' energy: -17.395 flat angles P-C4'-P energy: -12.269 tors. eta vs tors. theta energy: -11.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -133.197189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.197189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.197189 (E_RNA) where: Base-Base interactions energy: -20.971 where: short stacking energy: -20.971 Base-Backbone interact. energy: -0.000 local terms energy: -112.226167 where: bonds (distance) C4'-P energy: -23.892 bonds (distance) P-C4' energy: -26.243 flat angles C4'-P-C4' energy: -26.442 flat angles P-C4'-P energy: -25.324 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -128.064976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.064976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.064976 (E_RNA) where: Base-Base interactions energy: -54.062 where: short stacking energy: -54.004 Base-Backbone interact. energy: -0.223 local terms energy: -73.779894 where: bonds (distance) C4'-P energy: -20.382 bonds (distance) P-C4' energy: -18.877 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -8.226 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -230.687609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.687609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.687609 (E_RNA) where: Base-Base interactions energy: -113.218 where: short stacking energy: -98.061 Base-Backbone interact. energy: -0.136 local terms energy: -117.333651 where: bonds (distance) C4'-P energy: -26.623 bonds (distance) P-C4' energy: -23.604 flat angles C4'-P-C4' energy: -26.556 flat angles P-C4'-P energy: -16.743 tors. eta vs tors. theta energy: -23.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -181.146019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.146019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.146019 (E_RNA) where: Base-Base interactions energy: -79.857 where: short stacking energy: -56.279 Base-Backbone interact. energy: -1.103 local terms energy: -100.185137 where: bonds (distance) C4'-P energy: -24.686 bonds (distance) P-C4' energy: -25.563 flat angles C4'-P-C4' energy: -26.820 flat angles P-C4'-P energy: -14.793 tors. eta vs tors. theta energy: -8.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -225.198718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.198718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.198718 (E_RNA) where: Base-Base interactions energy: -126.072 where: short stacking energy: -67.817 Base-Backbone interact. energy: -0.972 local terms energy: -98.154005 where: bonds (distance) C4'-P energy: -24.128 bonds (distance) P-C4' energy: -22.785 flat angles C4'-P-C4' energy: -21.511 flat angles P-C4'-P energy: -14.981 tors. eta vs tors. theta energy: -14.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -178.641981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.641981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.641981 (E_RNA) where: Base-Base interactions energy: -79.214 where: short stacking energy: -70.194 Base-Backbone interact. energy: -0.578 local terms energy: -98.850053 where: bonds (distance) C4'-P energy: -17.418 bonds (distance) P-C4' energy: -26.412 flat angles C4'-P-C4' energy: -26.991 flat angles P-C4'-P energy: -11.931 tors. eta vs tors. theta energy: -16.098 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: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -187.401741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.401741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.401741 (E_RNA) where: Base-Base interactions energy: -88.264 where: short stacking energy: -72.541 Base-Backbone interact. energy: -0.077 local terms energy: -99.061134 where: bonds (distance) C4'-P energy: -21.611 bonds (distance) P-C4' energy: -22.315 flat angles C4'-P-C4' energy: -24.345 flat angles P-C4'-P energy: -13.244 tors. eta vs tors. theta energy: -17.547 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -246.908334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.908334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.908334 (E_RNA) where: Base-Base interactions energy: -154.988 where: short stacking energy: -77.674 Base-Backbone interact. energy: -0.926 local terms energy: -90.994372 where: bonds (distance) C4'-P energy: -17.475 bonds (distance) P-C4' energy: -20.770 flat angles C4'-P-C4' energy: -25.550 flat angles P-C4'-P energy: -11.660 tors. eta vs tors. theta energy: -15.539 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: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -157.546340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.546340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.546340 (E_RNA) where: Base-Base interactions energy: -80.076 where: short stacking energy: -44.479 Base-Backbone interact. energy: -1.768 local terms energy: -75.702938 where: bonds (distance) C4'-P energy: -22.559 bonds (distance) P-C4' energy: -19.395 flat angles C4'-P-C4' energy: -23.643 flat angles P-C4'-P energy: -4.538 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: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -142.066523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.066523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.066523 (E_RNA) where: Base-Base interactions energy: -63.397 where: short stacking energy: -45.811 Base-Backbone interact. energy: -0.135 local terms energy: -78.534998 where: bonds (distance) C4'-P energy: -20.828 bonds (distance) P-C4' energy: -25.094 flat angles C4'-P-C4' energy: -17.618 flat angles P-C4'-P energy: -10.103 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: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -129.012946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.012946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.012946 (E_RNA) where: Base-Base interactions energy: -49.596 where: short stacking energy: -46.925 Base-Backbone interact. energy: -0.471 local terms energy: -78.946197 where: bonds (distance) C4'-P energy: -26.277 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -15.994 flat angles P-C4'-P energy: -12.248 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -120.737969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.737969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.737969 (E_RNA) where: Base-Base interactions energy: -39.543 where: short stacking energy: -37.070 Base-Backbone interact. energy: -0.528 local terms energy: -80.666887 where: bonds (distance) C4'-P energy: -17.484 bonds (distance) P-C4' energy: -22.837 flat angles C4'-P-C4' energy: -17.780 flat angles P-C4'-P energy: -15.740 tors. eta vs tors. theta energy: -6.825 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -279.717527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.717527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.717527 (E_RNA) where: Base-Base interactions energy: -168.665 where: short stacking energy: -97.150 Base-Backbone interact. energy: 0.477 local terms energy: -111.528998 where: bonds (distance) C4'-P energy: -25.545 bonds (distance) P-C4' energy: -23.959 flat angles C4'-P-C4' energy: -22.454 flat angles P-C4'-P energy: -19.080 tors. eta vs tors. theta energy: -20.491 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: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -263.030671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.030671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.030671 (E_RNA) where: Base-Base interactions energy: -151.183 where: short stacking energy: -84.479 Base-Backbone interact. energy: 0.069 local terms energy: -111.916699 where: bonds (distance) C4'-P energy: -27.742 bonds (distance) P-C4' energy: -19.959 flat angles C4'-P-C4' energy: -27.187 flat angles P-C4'-P energy: -13.801 tors. eta vs tors. theta energy: -23.228 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: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -222.756443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.756443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.756443 (E_RNA) where: Base-Base interactions energy: -120.482 where: short stacking energy: -82.649 Base-Backbone interact. energy: -0.921 local terms energy: -101.352839 where: bonds (distance) C4'-P energy: -22.886 bonds (distance) P-C4' energy: -24.132 flat angles C4'-P-C4' energy: -25.380 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -17.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -194.310305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.310305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.310305 (E_RNA) where: Base-Base interactions energy: -101.565 where: short stacking energy: -69.236 Base-Backbone interact. energy: -0.511 local terms energy: -92.234456 where: bonds (distance) C4'-P energy: -23.586 bonds (distance) P-C4' energy: -22.269 flat angles C4'-P-C4' energy: -18.970 flat angles P-C4'-P energy: -14.771 tors. eta vs tors. theta energy: -12.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -270.996762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.996762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.996762 (E_RNA) where: Base-Base interactions energy: -174.292 where: short stacking energy: -83.679 Base-Backbone interact. energy: -0.369 local terms energy: -96.336317 where: bonds (distance) C4'-P energy: -18.446 bonds (distance) P-C4' energy: -27.569 flat angles C4'-P-C4' energy: -20.088 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -20.155 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: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -179.918639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.918639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.918639 (E_RNA) where: Base-Base interactions energy: -87.887 where: short stacking energy: -42.054 Base-Backbone interact. energy: -0.188 local terms energy: -91.843817 where: bonds (distance) C4'-P energy: -26.014 bonds (distance) P-C4' energy: -26.802 flat angles C4'-P-C4' energy: -17.898 flat angles P-C4'-P energy: -19.206 tors. eta vs tors. theta energy: -1.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -142.989963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.989963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.989963 (E_RNA) where: Base-Base interactions energy: -50.199 where: short stacking energy: -38.528 Base-Backbone interact. energy: -0.390 local terms energy: -92.400841 where: bonds (distance) C4'-P energy: -20.857 bonds (distance) P-C4' energy: -19.320 flat angles C4'-P-C4' energy: -26.559 flat angles P-C4'-P energy: -14.617 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -124.890359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.890359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.890359 (E_RNA) where: Base-Base interactions energy: -41.347 where: short stacking energy: -41.017 Base-Backbone interact. energy: -0.131 local terms energy: -83.412449 where: bonds (distance) C4'-P energy: -21.971 bonds (distance) P-C4' energy: -22.964 flat angles C4'-P-C4' energy: -24.142 flat angles P-C4'-P energy: -13.881 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -148.637783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.637783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.637783 (E_RNA) where: Base-Base interactions energy: -69.474 where: short stacking energy: -45.046 Base-Backbone interact. energy: -1.562 local terms energy: -77.601827 where: bonds (distance) C4'-P energy: -20.070 bonds (distance) P-C4' energy: -23.846 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -14.990 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -108.193645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.193645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.193645 (E_RNA) where: Base-Base interactions energy: -43.966 where: short stacking energy: -30.575 Base-Backbone interact. energy: -0.423 local terms energy: -63.804755 where: bonds (distance) C4'-P energy: -20.418 bonds (distance) P-C4' energy: -25.247 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -11.912 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -295.184332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.184332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.184332 (E_RNA) where: Base-Base interactions energy: -176.607 where: short stacking energy: -103.764 Base-Backbone interact. energy: -2.414 local terms energy: -116.162858 where: bonds (distance) C4'-P energy: -25.186 bonds (distance) P-C4' energy: -25.943 flat angles C4'-P-C4' energy: -20.763 flat angles P-C4'-P energy: -16.736 tors. eta vs tors. theta energy: -27.535 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: 5 Temperature: 0.950000 Total energy: -280.436385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.436385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.436385 (E_RNA) where: Base-Base interactions energy: -179.049 where: short stacking energy: -83.066 Base-Backbone interact. energy: -0.249 local terms energy: -101.139169 where: bonds (distance) C4'-P energy: -19.180 bonds (distance) P-C4' energy: -24.508 flat angles C4'-P-C4' energy: -20.725 flat angles P-C4'-P energy: -17.440 tors. eta vs tors. theta energy: -19.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -247.709037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.709037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.709037 (E_RNA) where: Base-Base interactions energy: -152.243 where: short stacking energy: -72.790 Base-Backbone interact. energy: -0.550 local terms energy: -94.915950 where: bonds (distance) C4'-P energy: -21.146 bonds (distance) P-C4' energy: -25.089 flat angles C4'-P-C4' energy: -24.564 flat angles P-C4'-P energy: -12.792 tors. eta vs tors. theta energy: -11.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -309.145537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.145537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.145537 (E_RNA) where: Base-Base interactions energy: -211.308 where: short stacking energy: -91.866 Base-Backbone interact. energy: -0.502 local terms energy: -97.336336 where: bonds (distance) C4'-P energy: -16.186 bonds (distance) P-C4' energy: -20.050 flat angles C4'-P-C4' energy: -26.370 flat angles P-C4'-P energy: -13.124 tors. eta vs tors. theta energy: -21.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -171.753934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.753934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.753934 (E_RNA) where: Base-Base interactions energy: -97.823 where: short stacking energy: -66.338 Base-Backbone interact. energy: 0.095 local terms energy: -74.026201 where: bonds (distance) C4'-P energy: -20.009 bonds (distance) P-C4' energy: -20.556 flat angles C4'-P-C4' energy: -21.939 flat angles P-C4'-P energy: -8.096 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: 6, replica: 4 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -200.314879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.314879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.314879 (E_RNA) where: Base-Base interactions energy: -117.117 where: short stacking energy: -77.030 Base-Backbone interact. energy: -0.040 local terms energy: -83.158178 where: bonds (distance) C4'-P energy: -21.232 bonds (distance) P-C4' energy: -16.913 flat angles C4'-P-C4' energy: -19.269 flat angles P-C4'-P energy: -11.399 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -172.802560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.802560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.802560 (E_RNA) where: Base-Base interactions energy: -92.064 where: short stacking energy: -69.325 Base-Backbone interact. energy: -0.120 local terms energy: -80.618112 where: bonds (distance) C4'-P energy: -20.654 bonds (distance) P-C4' energy: -12.674 flat angles C4'-P-C4' energy: -24.678 flat angles P-C4'-P energy: -15.274 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -169.252866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.252866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.252866 (E_RNA) where: Base-Base interactions energy: -92.810 where: short stacking energy: -51.006 Base-Backbone interact. energy: -0.129 local terms energy: -76.313721 where: bonds (distance) C4'-P energy: -15.286 bonds (distance) P-C4' energy: -22.115 flat angles C4'-P-C4' energy: -19.458 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -8.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -133.342274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.342274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.342274 (E_RNA) where: Base-Base interactions energy: -64.857 where: short stacking energy: -42.800 Base-Backbone interact. energy: -0.364 local terms energy: -68.120639 where: bonds (distance) C4'-P energy: -26.885 bonds (distance) P-C4' energy: -21.199 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -11.171 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: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -129.739805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.739805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.739805 (E_RNA) where: Base-Base interactions energy: -51.202 where: short stacking energy: -29.260 Base-Backbone interact. energy: -0.322 local terms energy: -78.216572 where: bonds (distance) C4'-P energy: -19.260 bonds (distance) P-C4' energy: -23.627 flat angles C4'-P-C4' energy: -20.599 flat angles P-C4'-P energy: -13.326 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: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -312.239700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.239700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.239700 (E_RNA) where: Base-Base interactions energy: -194.260 where: short stacking energy: -107.751 Base-Backbone interact. energy: -0.083 local terms energy: -117.896683 where: bonds (distance) C4'-P energy: -21.764 bonds (distance) P-C4' energy: -23.833 flat angles C4'-P-C4' energy: -23.425 flat angles P-C4'-P energy: -16.764 tors. eta vs tors. theta energy: -32.111 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: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -286.307166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.307166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.307166 (E_RNA) where: Base-Base interactions energy: -185.496 where: short stacking energy: -75.237 Base-Backbone interact. energy: 1.323 local terms energy: -102.133915 where: bonds (distance) C4'-P energy: -25.364 bonds (distance) P-C4' energy: -22.501 flat angles C4'-P-C4' energy: -24.395 flat angles P-C4'-P energy: -11.723 tors. eta vs tors. theta energy: -18.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -296.744994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.744994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.744994 (E_RNA) where: Base-Base interactions energy: -193.454 where: short stacking energy: -84.082 Base-Backbone interact. energy: -0.594 local terms energy: -102.697787 where: bonds (distance) C4'-P energy: -23.476 bonds (distance) P-C4' energy: -21.746 flat angles C4'-P-C4' energy: -24.474 flat angles P-C4'-P energy: -19.051 tors. eta vs tors. theta energy: -13.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -281.255510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.255510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.255510 (E_RNA) where: Base-Base interactions energy: -186.517 where: short stacking energy: -82.422 Base-Backbone interact. energy: -0.347 local terms energy: -94.391474 where: bonds (distance) C4'-P energy: -18.739 bonds (distance) P-C4' energy: -24.727 flat angles C4'-P-C4' energy: -19.716 flat angles P-C4'-P energy: -7.444 tors. eta vs tors. theta energy: -23.765 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: 6 Temperature: 1.100000 Total energy: -243.747884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.747884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.747884 (E_RNA) where: Base-Base interactions energy: -154.785 where: short stacking energy: -62.130 Base-Backbone interact. energy: -0.012 local terms energy: -88.951534 where: bonds (distance) C4'-P energy: -21.435 bonds (distance) P-C4' energy: -24.410 flat angles C4'-P-C4' energy: -20.847 flat angles P-C4'-P energy: -13.969 tors. eta vs tors. theta energy: -8.290 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: 6, replica: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -168.076915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.076915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.076915 (E_RNA) where: Base-Base interactions energy: -77.782 where: short stacking energy: -72.489 Base-Backbone interact. energy: -0.016 local terms energy: -90.278842 where: bonds (distance) C4'-P energy: -23.077 bonds (distance) P-C4' energy: -22.609 flat angles C4'-P-C4' energy: -14.698 flat angles P-C4'-P energy: -16.728 tors. eta vs tors. theta energy: -13.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -200.675040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.675040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.675040 (E_RNA) where: Base-Base interactions energy: -105.902 where: short stacking energy: -50.741 Base-Backbone interact. energy: -1.881 local terms energy: -92.892864 where: bonds (distance) C4'-P energy: -23.396 bonds (distance) P-C4' energy: -22.521 flat angles C4'-P-C4' energy: -25.211 flat angles P-C4'-P energy: -12.512 tors. eta vs tors. theta energy: -9.253 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: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -169.653104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.653104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.653104 (E_RNA) where: Base-Base interactions energy: -81.944 where: short stacking energy: -43.719 Base-Backbone interact. energy: -0.302 local terms energy: -87.407252 where: bonds (distance) C4'-P energy: -21.395 bonds (distance) P-C4' energy: -26.069 flat angles C4'-P-C4' energy: -23.103 flat angles P-C4'-P energy: -15.054 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -148.665193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.665193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.665193 (E_RNA) where: Base-Base interactions energy: -72.938 where: short stacking energy: -50.590 Base-Backbone interact. energy: 0.876 local terms energy: -76.603190 where: bonds (distance) C4'-P energy: -15.397 bonds (distance) P-C4' energy: -22.508 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -16.356 tors. eta vs tors. theta energy: -8.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -112.328456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.328456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.328456 (E_RNA) where: Base-Base interactions energy: -42.647 where: short stacking energy: -39.819 Base-Backbone interact. energy: 0.197 local terms energy: -69.878506 where: bonds (distance) C4'-P energy: -16.238 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -21.613 flat angles P-C4'-P energy: -16.014 tors. eta vs tors. theta energy: 0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -341.826902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.826902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.826902 (E_RNA) where: Base-Base interactions energy: -225.589 where: short stacking energy: -107.047 Base-Backbone interact. energy: -1.163 local terms energy: -115.074500 where: bonds (distance) C4'-P energy: -26.381 bonds (distance) P-C4' energy: -19.457 flat angles C4'-P-C4' energy: -25.790 flat angles P-C4'-P energy: -12.612 tors. eta vs tors. theta energy: -30.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -321.505484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.505484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.505484 (E_RNA) where: Base-Base interactions energy: -214.463 where: short stacking energy: -105.225 Base-Backbone interact. energy: 1.047 local terms energy: -108.089236 where: bonds (distance) C4'-P energy: -23.036 bonds (distance) P-C4' energy: -21.889 flat angles C4'-P-C4' energy: -28.671 flat angles P-C4'-P energy: -12.650 tors. eta vs tors. theta energy: -21.844 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -279.117906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.117906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.117906 (E_RNA) where: Base-Base interactions energy: -171.673 where: short stacking energy: -82.896 Base-Backbone interact. energy: 0.039 local terms energy: -107.483963 where: bonds (distance) C4'-P energy: -24.851 bonds (distance) P-C4' energy: -26.230 flat angles C4'-P-C4' energy: -18.164 flat angles P-C4'-P energy: -14.980 tors. eta vs tors. theta energy: -23.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -281.244311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.244311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.244311 (E_RNA) where: Base-Base interactions energy: -191.893 where: short stacking energy: -96.533 Base-Backbone interact. energy: 0.552 local terms energy: -89.902715 where: bonds (distance) C4'-P energy: -19.176 bonds (distance) P-C4' energy: -24.587 flat angles C4'-P-C4' energy: -21.985 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -19.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -240.213618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.213618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.213618 (E_RNA) where: Base-Base interactions energy: -140.359 where: short stacking energy: -72.285 Base-Backbone interact. energy: -1.422 local terms energy: -98.433297 where: bonds (distance) C4'-P energy: -21.429 bonds (distance) P-C4' energy: -24.428 flat angles C4'-P-C4' energy: -22.729 flat angles P-C4'-P energy: -16.667 tors. eta vs tors. theta energy: -13.180 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: 7 Temperature: 1.150000 Total energy: -219.740610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.740610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.740610 (E_RNA) where: Base-Base interactions energy: -122.237 where: short stacking energy: -66.101 Base-Backbone interact. energy: -0.685 local terms energy: -96.818014 where: bonds (distance) C4'-P energy: -22.667 bonds (distance) P-C4' energy: -23.361 flat angles C4'-P-C4' energy: -26.617 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -15.909 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: 4 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -180.230712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.230712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.230712 (E_RNA) where: Base-Base interactions energy: -109.022 where: short stacking energy: -58.864 Base-Backbone interact. energy: -0.217 local terms energy: -70.991770 where: bonds (distance) C4'-P energy: -20.381 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -21.716 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -142.464692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.464692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.464692 (E_RNA) where: Base-Base interactions energy: -57.002 where: short stacking energy: -43.647 Base-Backbone interact. energy: -0.152 local terms energy: -85.310685 where: bonds (distance) C4'-P energy: -21.384 bonds (distance) P-C4' energy: -16.102 flat angles C4'-P-C4' energy: -25.931 flat angles P-C4'-P energy: -17.323 tors. eta vs tors. theta energy: -4.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -150.623704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.623704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.623704 (E_RNA) where: Base-Base interactions energy: -74.252 where: short stacking energy: -39.834 Base-Backbone interact. energy: -0.580 local terms energy: -75.792314 where: bonds (distance) C4'-P energy: -24.882 bonds (distance) P-C4' energy: -24.793 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -12.890 tors. eta vs tors. theta energy: -0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -114.540738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.540738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.540738 (E_RNA) where: Base-Base interactions energy: -36.808 where: short stacking energy: -36.201 Base-Backbone interact. energy: 0.758 local terms energy: -78.490680 where: bonds (distance) C4'-P energy: -19.069 bonds (distance) P-C4' energy: -21.148 flat angles C4'-P-C4' energy: -18.380 flat angles P-C4'-P energy: -17.605 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -349.048479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.048479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.048479 (E_RNA) where: Base-Base interactions energy: -238.793 where: short stacking energy: -99.160 Base-Backbone interact. energy: -0.607 local terms energy: -109.648410 where: bonds (distance) C4'-P energy: -23.149 bonds (distance) P-C4' energy: -26.190 flat angles C4'-P-C4' energy: -23.961 flat angles P-C4'-P energy: -16.233 tors. eta vs tors. theta energy: -20.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -348.558272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.558272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.558272 (E_RNA) where: Base-Base interactions energy: -221.493 where: short stacking energy: -110.491 Base-Backbone interact. energy: -4.069 local terms energy: -122.995890 where: bonds (distance) C4'-P energy: -21.919 bonds (distance) P-C4' energy: -27.738 flat angles C4'-P-C4' energy: -24.146 flat angles P-C4'-P energy: -19.839 tors. eta vs tors. theta energy: -29.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -281.476282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.476282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.476282 (E_RNA) where: Base-Base interactions energy: -164.502 where: short stacking energy: -95.465 Base-Backbone interact. energy: -0.090 local terms energy: -116.884127 where: bonds (distance) C4'-P energy: -24.692 bonds (distance) P-C4' energy: -26.375 flat angles C4'-P-C4' energy: -25.493 flat angles P-C4'-P energy: -14.976 tors. eta vs tors. theta energy: -25.348 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: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -275.293430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.293430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.293430 (E_RNA) where: Base-Base interactions energy: -176.141 where: short stacking energy: -84.935 Base-Backbone interact. energy: -0.036 local terms energy: -99.116573 where: bonds (distance) C4'-P energy: -19.045 bonds (distance) P-C4' energy: -24.606 flat angles C4'-P-C4' energy: -19.862 flat angles P-C4'-P energy: -15.646 tors. eta vs tors. theta energy: -19.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -230.897553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.897553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.897553 (E_RNA) where: Base-Base interactions energy: -124.446 where: short stacking energy: -77.292 Base-Backbone interact. energy: -0.175 local terms energy: -106.276470 where: bonds (distance) C4'-P energy: -21.562 bonds (distance) P-C4' energy: -23.503 flat angles C4'-P-C4' energy: -24.312 flat angles P-C4'-P energy: -16.692 tors. eta vs tors. theta energy: -20.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -224.351301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.351301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.351301 (E_RNA) where: Base-Base interactions energy: -138.202 where: short stacking energy: -65.770 Base-Backbone interact. energy: -0.556 local terms energy: -85.592947 where: bonds (distance) C4'-P energy: -20.464 bonds (distance) P-C4' energy: -25.292 flat angles C4'-P-C4' energy: -18.957 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: -10.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -161.736924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.736924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.736924 (E_RNA) where: Base-Base interactions energy: -80.609 where: short stacking energy: -58.020 Base-Backbone interact. energy: -0.169 local terms energy: -80.958255 where: bonds (distance) C4'-P energy: -25.333 bonds (distance) P-C4' energy: -22.467 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -8.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -151.691590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.691590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.691590 (E_RNA) where: Base-Base interactions energy: -63.642 where: short stacking energy: -60.608 Base-Backbone interact. energy: -0.894 local terms energy: -87.155736 where: bonds (distance) C4'-P energy: -21.773 bonds (distance) P-C4' energy: -21.542 flat angles C4'-P-C4' energy: -18.177 flat angles P-C4'-P energy: -13.103 tors. eta vs tors. theta energy: -12.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -138.826507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.826507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.826507 (E_RNA) where: Base-Base interactions energy: -62.638 where: short stacking energy: -54.560 Base-Backbone interact. energy: -1.570 local terms energy: -74.617933 where: bonds (distance) C4'-P energy: -19.455 bonds (distance) P-C4' energy: -20.130 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -10.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -106.358642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.358642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.358642 (E_RNA) where: Base-Base interactions energy: -37.939 where: short stacking energy: -25.235 Base-Backbone interact. energy: 1.283 local terms energy: -69.701976 where: bonds (distance) C4'-P energy: -17.985 bonds (distance) P-C4' energy: -22.829 flat angles C4'-P-C4' energy: -21.255 flat angles P-C4'-P energy: -12.054 tors. eta vs tors. theta energy: 4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -365.960017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.960017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.960017 (E_RNA) where: Base-Base interactions energy: -251.569 where: short stacking energy: -102.970 Base-Backbone interact. energy: -1.315 local terms energy: -113.076330 where: bonds (distance) C4'-P energy: -22.999 bonds (distance) P-C4' energy: -26.235 flat angles C4'-P-C4' energy: -29.951 flat angles P-C4'-P energy: -11.536 tors. eta vs tors. theta energy: -22.356 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: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -346.099542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.099542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.099542 (E_RNA) where: Base-Base interactions energy: -229.983 where: short stacking energy: -111.738 Base-Backbone interact. energy: -2.309 local terms energy: -113.807425 where: bonds (distance) C4'-P energy: -25.279 bonds (distance) P-C4' energy: -22.449 flat angles C4'-P-C4' energy: -23.196 flat angles P-C4'-P energy: -14.627 tors. eta vs tors. theta energy: -28.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -282.729632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.729632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.729632 (E_RNA) where: Base-Base interactions energy: -169.801 where: short stacking energy: -106.299 Base-Backbone interact. energy: -0.036 local terms energy: -112.892647 where: bonds (distance) C4'-P energy: -21.899 bonds (distance) P-C4' energy: -22.939 flat angles C4'-P-C4' energy: -25.153 flat angles P-C4'-P energy: -9.473 tors. eta vs tors. theta energy: -33.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -264.264723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.264723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.264723 (E_RNA) where: Base-Base interactions energy: -164.032 where: short stacking energy: -78.824 Base-Backbone interact. energy: -0.285 local terms energy: -99.947837 where: bonds (distance) C4'-P energy: -21.881 bonds (distance) P-C4' energy: -23.968 flat angles C4'-P-C4' energy: -24.829 flat angles P-C4'-P energy: -9.294 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -247.561538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.561538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.561538 (E_RNA) where: Base-Base interactions energy: -137.131 where: short stacking energy: -74.686 Base-Backbone interact. energy: -1.313 local terms energy: -109.117208 where: bonds (distance) C4'-P energy: -23.914 bonds (distance) P-C4' energy: -25.984 flat angles C4'-P-C4' energy: -19.071 flat angles P-C4'-P energy: -16.404 tors. eta vs tors. theta energy: -23.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -206.315980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.315980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.315980 (E_RNA) where: Base-Base interactions energy: -116.167 where: short stacking energy: -69.439 Base-Backbone interact. energy: -0.988 local terms energy: -89.160596 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -27.132 flat angles C4'-P-C4' energy: -18.865 flat angles P-C4'-P energy: -13.488 tors. eta vs tors. theta energy: -14.051 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: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -158.328454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.328454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.328454 (E_RNA) where: Base-Base interactions energy: -79.322 where: short stacking energy: -34.193 Base-Backbone interact. energy: -0.339 local terms energy: -78.668110 where: bonds (distance) C4'-P energy: -23.917 bonds (distance) P-C4' energy: -19.675 flat angles C4'-P-C4' energy: -19.983 flat angles P-C4'-P energy: -14.700 tors. eta vs tors. theta energy: -0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -135.740888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.740888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.740888 (E_RNA) where: Base-Base interactions energy: -51.692 where: short stacking energy: -40.526 Base-Backbone interact. energy: 0.215 local terms energy: -84.264683 where: bonds (distance) C4'-P energy: -22.602 bonds (distance) P-C4' energy: -19.044 flat angles C4'-P-C4' energy: -24.077 flat angles P-C4'-P energy: -18.626 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: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -168.565928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.565928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.565928 (E_RNA) where: Base-Base interactions energy: -97.091 where: short stacking energy: -41.396 Base-Backbone interact. energy: -0.414 local terms energy: -71.060690 where: bonds (distance) C4'-P energy: -19.967 bonds (distance) P-C4' energy: -14.105 flat angles C4'-P-C4' energy: -19.648 flat angles P-C4'-P energy: -16.009 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -129.555973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.555973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.555973 (E_RNA) where: Base-Base interactions energy: -50.595 where: short stacking energy: -41.178 Base-Backbone interact. energy: 2.256 local terms energy: -81.215982 where: bonds (distance) C4'-P energy: -16.326 bonds (distance) P-C4' energy: -20.611 flat angles C4'-P-C4' energy: -22.797 flat angles P-C4'-P energy: -14.103 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: 1, replica: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -373.241611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.241611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.241611 (E_RNA) where: Base-Base interactions energy: -257.137 where: short stacking energy: -104.867 Base-Backbone interact. energy: -0.269 local terms energy: -115.835032 where: bonds (distance) C4'-P energy: -22.376 bonds (distance) P-C4' energy: -24.302 flat angles C4'-P-C4' energy: -29.185 flat angles P-C4'-P energy: -15.201 tors. eta vs tors. theta energy: -24.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -333.136157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.136157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.136157 (E_RNA) where: Base-Base interactions energy: -209.158 where: short stacking energy: -103.443 Base-Backbone interact. energy: -0.467 local terms energy: -123.510713 where: bonds (distance) C4'-P energy: -27.486 bonds (distance) P-C4' energy: -25.934 flat angles C4'-P-C4' energy: -26.766 flat angles P-C4'-P energy: -16.154 tors. eta vs tors. theta energy: -27.171 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: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -301.228371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.228371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.228371 (E_RNA) where: Base-Base interactions energy: -192.752 where: short stacking energy: -96.948 Base-Backbone interact. energy: -2.303 local terms energy: -106.173414 where: bonds (distance) C4'-P energy: -19.154 bonds (distance) P-C4' energy: -25.038 flat angles C4'-P-C4' energy: -24.665 flat angles P-C4'-P energy: -15.776 tors. eta vs tors. theta energy: -21.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -263.562288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.562288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.562288 (E_RNA) where: Base-Base interactions energy: -163.174 where: short stacking energy: -89.929 Base-Backbone interact. energy: 0.373 local terms energy: -100.760838 where: bonds (distance) C4'-P energy: -16.168 bonds (distance) P-C4' energy: -26.763 flat angles C4'-P-C4' energy: -21.022 flat angles P-C4'-P energy: -13.086 tors. eta vs tors. theta energy: -23.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -240.890120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.890120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.890120 (E_RNA) where: Base-Base interactions energy: -154.357 where: short stacking energy: -65.749 Base-Backbone interact. energy: -0.748 local terms energy: -85.784579 where: bonds (distance) C4'-P energy: -19.686 bonds (distance) P-C4' energy: -21.162 flat angles C4'-P-C4' energy: -17.904 flat angles P-C4'-P energy: -17.168 tors. eta vs tors. theta energy: -9.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -207.435272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.435272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.435272 (E_RNA) where: Base-Base interactions energy: -106.869 where: short stacking energy: -58.051 Base-Backbone interact. energy: 1.164 local terms energy: -101.729868 where: bonds (distance) C4'-P energy: -23.569 bonds (distance) P-C4' energy: -25.793 flat angles C4'-P-C4' energy: -22.895 flat angles P-C4'-P energy: -16.153 tors. eta vs tors. theta energy: -13.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -158.579527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.579527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.579527 (E_RNA) where: Base-Base interactions energy: -79.385 where: short stacking energy: -50.041 Base-Backbone interact. energy: -1.039 local terms energy: -78.156063 where: bonds (distance) C4'-P energy: -13.337 bonds (distance) P-C4' energy: -25.529 flat angles C4'-P-C4' energy: -21.552 flat angles P-C4'-P energy: -17.209 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -138.640905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.640905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.640905 (E_RNA) where: Base-Base interactions energy: -55.747 where: short stacking energy: -56.847 Base-Backbone interact. energy: -0.143 local terms energy: -82.750517 where: bonds (distance) C4'-P energy: -22.646 bonds (distance) P-C4' energy: -20.628 flat angles C4'-P-C4' energy: -21.726 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -189.584615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.584615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.584615 (E_RNA) where: Base-Base interactions energy: -104.741 where: short stacking energy: -49.567 Base-Backbone interact. energy: 0.282 local terms energy: -85.125764 where: bonds (distance) C4'-P energy: -27.379 bonds (distance) P-C4' energy: -18.087 flat angles C4'-P-C4' energy: -19.261 flat angles P-C4'-P energy: -14.791 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -128.011508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.011508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.011508 (E_RNA) where: Base-Base interactions energy: -55.251 where: short stacking energy: -33.837 Base-Backbone interact. energy: -0.285 local terms energy: -72.476000 where: bonds (distance) C4'-P energy: -18.484 bonds (distance) P-C4' energy: -25.052 flat angles C4'-P-C4' energy: -17.076 flat angles P-C4'-P energy: -13.332 tors. eta vs tors. theta energy: 1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -366.007873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.007873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.007873 (E_RNA) where: Base-Base interactions energy: -253.075 where: short stacking energy: -110.191 Base-Backbone interact. energy: -1.420 local terms energy: -111.512094 where: bonds (distance) C4'-P energy: -20.844 bonds (distance) P-C4' energy: -27.039 flat angles C4'-P-C4' energy: -25.815 flat angles P-C4'-P energy: -12.335 tors. eta vs tors. theta energy: -25.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -295.066506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.066506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.066506 (E_RNA) where: Base-Base interactions energy: -181.779 where: short stacking energy: -86.151 Base-Backbone interact. energy: -1.190 local terms energy: -112.097029 where: bonds (distance) C4'-P energy: -27.953 bonds (distance) P-C4' energy: -25.114 flat angles C4'-P-C4' energy: -25.974 flat angles P-C4'-P energy: -13.261 tors. eta vs tors. theta energy: -19.796 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: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -339.150884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.150884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.150884 (E_RNA) where: Base-Base interactions energy: -236.361 where: short stacking energy: -105.141 Base-Backbone interact. energy: -0.780 local terms energy: -102.010370 where: bonds (distance) C4'-P energy: -22.961 bonds (distance) P-C4' energy: -21.053 flat angles C4'-P-C4' energy: -22.404 flat angles P-C4'-P energy: -10.713 tors. eta vs tors. theta energy: -24.879 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: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -235.452235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.452235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.452235 (E_RNA) where: Base-Base interactions energy: -146.756 where: short stacking energy: -70.967 Base-Backbone interact. energy: -0.156 local terms energy: -88.539760 where: bonds (distance) C4'-P energy: -22.797 bonds (distance) P-C4' energy: -17.966 flat angles C4'-P-C4' energy: -19.365 flat angles P-C4'-P energy: -17.100 tors. eta vs tors. theta energy: -11.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -241.174469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.174469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.174469 (E_RNA) where: Base-Base interactions energy: -147.920 where: short stacking energy: -75.535 Base-Backbone interact. energy: -1.101 local terms energy: -92.153006 where: bonds (distance) C4'-P energy: -17.194 bonds (distance) P-C4' energy: -22.820 flat angles C4'-P-C4' energy: -23.232 flat angles P-C4'-P energy: -13.717 tors. eta vs tors. theta energy: -15.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -224.418332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.418332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.418332 (E_RNA) where: Base-Base interactions energy: -135.142 where: short stacking energy: -78.878 Base-Backbone interact. energy: 3.419 local terms energy: -92.695251 where: bonds (distance) C4'-P energy: -23.850 bonds (distance) P-C4' energy: -16.989 flat angles C4'-P-C4' energy: -22.881 flat angles P-C4'-P energy: -12.782 tors. eta vs tors. theta energy: -16.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -144.362861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.362861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.362861 (E_RNA) where: Base-Base interactions energy: -63.640 where: short stacking energy: -42.478 Base-Backbone interact. energy: -0.509 local terms energy: -80.214121 where: bonds (distance) C4'-P energy: -21.682 bonds (distance) P-C4' energy: -25.674 flat angles C4'-P-C4' energy: -16.467 flat angles P-C4'-P energy: -14.332 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -211.222016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.222016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.222016 (E_RNA) where: Base-Base interactions energy: -114.736 where: short stacking energy: -64.387 Base-Backbone interact. energy: -0.095 local terms energy: -96.391161 where: bonds (distance) C4'-P energy: -18.924 bonds (distance) P-C4' energy: -26.101 flat angles C4'-P-C4' energy: -23.524 flat angles P-C4'-P energy: -16.773 tors. eta vs tors. theta energy: -11.069 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: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -143.838729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.838729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.838729 (E_RNA) where: Base-Base interactions energy: -65.250 where: short stacking energy: -40.315 Base-Backbone interact. energy: -0.307 local terms energy: -78.282175 where: bonds (distance) C4'-P energy: -21.967 bonds (distance) P-C4' energy: -24.888 flat angles C4'-P-C4' energy: -17.372 flat angles P-C4'-P energy: -9.334 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: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -117.043108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.043108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.043108 (E_RNA) where: Base-Base interactions energy: -40.649 where: short stacking energy: -40.649 Base-Backbone interact. energy: -0.235 local terms energy: -76.158836 where: bonds (distance) C4'-P energy: -19.111 bonds (distance) P-C4' energy: -23.095 flat angles C4'-P-C4' energy: -19.678 flat angles P-C4'-P energy: -11.527 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -367.807788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.807788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.807788 (E_RNA) where: Base-Base interactions energy: -258.555 where: short stacking energy: -103.809 Base-Backbone interact. energy: -0.187 local terms energy: -109.066014 where: bonds (distance) C4'-P energy: -18.200 bonds (distance) P-C4' energy: -28.451 flat angles C4'-P-C4' energy: -23.286 flat angles P-C4'-P energy: -16.000 tors. eta vs tors. theta energy: -23.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -306.053815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.053815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.053815 (E_RNA) where: Base-Base interactions energy: -209.806 where: short stacking energy: -83.940 Base-Backbone interact. energy: -0.317 local terms energy: -95.930549 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -17.174 flat angles C4'-P-C4' energy: -29.432 flat angles P-C4'-P energy: -14.949 tors. eta vs tors. theta energy: -20.255 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: 12 Temperature: 1.000000 Total energy: -335.155812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.155812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.155812 (E_RNA) where: Base-Base interactions energy: -214.078 where: short stacking energy: -98.057 Base-Backbone interact. energy: -1.374 local terms energy: -119.703711 where: bonds (distance) C4'-P energy: -25.034 bonds (distance) P-C4' energy: -23.547 flat angles C4'-P-C4' energy: -28.923 flat angles P-C4'-P energy: -15.157 tors. eta vs tors. theta energy: -27.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -246.036033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.036033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.036033 (E_RNA) where: Base-Base interactions energy: -149.398 where: short stacking energy: -72.275 Base-Backbone interact. energy: -0.587 local terms energy: -96.050727 where: bonds (distance) C4'-P energy: -22.762 bonds (distance) P-C4' energy: -22.359 flat angles C4'-P-C4' energy: -20.924 flat angles P-C4'-P energy: -15.095 tors. eta vs tors. theta energy: -14.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -293.255108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.255108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.255108 (E_RNA) where: Base-Base interactions energy: -195.423 where: short stacking energy: -87.301 Base-Backbone interact. energy: -1.626 local terms energy: -96.206185 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -21.590 flat angles C4'-P-C4' energy: -26.462 flat angles P-C4'-P energy: -19.945 tors. eta vs tors. theta energy: -14.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -231.709185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.709185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.709185 (E_RNA) where: Base-Base interactions energy: -139.268 where: short stacking energy: -74.244 Base-Backbone interact. energy: -1.683 local terms energy: -90.758201 where: bonds (distance) C4'-P energy: -20.737 bonds (distance) P-C4' energy: -27.583 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -12.769 tors. eta vs tors. theta energy: -14.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -231.872303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.872303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.872303 (E_RNA) where: Base-Base interactions energy: -136.859 where: short stacking energy: -76.898 Base-Backbone interact. energy: -0.630 local terms energy: -94.383381 where: bonds (distance) C4'-P energy: -24.146 bonds (distance) P-C4' energy: -17.928 flat angles C4'-P-C4' energy: -16.853 flat angles P-C4'-P energy: -15.317 tors. eta vs tors. theta energy: -20.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -148.525107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.525107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.525107 (E_RNA) where: Base-Base interactions energy: -73.984 where: short stacking energy: -53.873 Base-Backbone interact. energy: -0.333 local terms energy: -74.208242 where: bonds (distance) C4'-P energy: -14.892 bonds (distance) P-C4' energy: -21.813 flat angles C4'-P-C4' energy: -17.811 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -152.678856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.678856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.678856 (E_RNA) where: Base-Base interactions energy: -76.328 where: short stacking energy: -49.693 Base-Backbone interact. energy: -0.272 local terms energy: -76.079137 where: bonds (distance) C4'-P energy: -19.522 bonds (distance) P-C4' energy: -21.420 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -13.449 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -116.015859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.015859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.015859 (E_RNA) where: Base-Base interactions energy: -40.899 where: short stacking energy: -28.602 Base-Backbone interact. energy: 0.039 local terms energy: -75.156001 where: bonds (distance) C4'-P energy: -24.742 bonds (distance) P-C4' energy: -19.577 flat angles C4'-P-C4' energy: -18.616 flat angles P-C4'-P energy: -17.190 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: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -368.203231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.203231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.203231 (E_RNA) where: Base-Base interactions energy: -256.076 where: short stacking energy: -105.159 Base-Backbone interact. energy: -0.594 local terms energy: -111.532991 where: bonds (distance) C4'-P energy: -22.957 bonds (distance) P-C4' energy: -23.593 flat angles C4'-P-C4' energy: -26.421 flat angles P-C4'-P energy: -17.038 tors. eta vs tors. theta energy: -21.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -329.274896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.274896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.274896 (E_RNA) where: Base-Base interactions energy: -218.217 where: short stacking energy: -102.370 Base-Backbone interact. energy: -0.640 local terms energy: -110.418520 where: bonds (distance) C4'-P energy: -27.101 bonds (distance) P-C4' energy: -19.369 flat angles C4'-P-C4' energy: -24.403 flat angles P-C4'-P energy: -13.164 tors. eta vs tors. theta energy: -26.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -302.502025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.502025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.502025 (E_RNA) where: Base-Base interactions energy: -198.323 where: short stacking energy: -99.532 Base-Backbone interact. energy: -1.699 local terms energy: -102.480071 where: bonds (distance) C4'-P energy: -16.166 bonds (distance) P-C4' energy: -27.419 flat angles C4'-P-C4' energy: -23.574 flat angles P-C4'-P energy: -13.483 tors. eta vs tors. theta energy: -21.837 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: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -323.285145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.285145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.285145 (E_RNA) where: Base-Base interactions energy: -220.984 where: short stacking energy: -95.736 Base-Backbone interact. energy: 1.270 local terms energy: -103.570930 where: bonds (distance) C4'-P energy: -23.259 bonds (distance) P-C4' energy: -26.384 flat angles C4'-P-C4' energy: -19.612 flat angles P-C4'-P energy: -13.353 tors. eta vs tors. theta energy: -20.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -218.530826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.530826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.530826 (E_RNA) where: Base-Base interactions energy: -129.782 where: short stacking energy: -67.358 Base-Backbone interact. energy: 0.200 local terms energy: -88.949125 where: bonds (distance) C4'-P energy: -22.711 bonds (distance) P-C4' energy: -21.613 flat angles C4'-P-C4' energy: -17.115 flat angles P-C4'-P energy: -13.905 tors. eta vs tors. theta energy: -13.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -219.650457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.650457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.650457 (E_RNA) where: Base-Base interactions energy: -129.932 where: short stacking energy: -61.223 Base-Backbone interact. energy: 0.720 local terms energy: -90.438515 where: bonds (distance) C4'-P energy: -20.071 bonds (distance) P-C4' energy: -23.102 flat angles C4'-P-C4' energy: -24.045 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -12.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -208.036772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.036772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.036772 (E_RNA) where: Base-Base interactions energy: -117.555 where: short stacking energy: -72.426 Base-Backbone interact. energy: 0.306 local terms energy: -90.787178 where: bonds (distance) C4'-P energy: -20.522 bonds (distance) P-C4' energy: -19.137 flat angles C4'-P-C4' energy: -21.840 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -18.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -176.577343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.577343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.577343 (E_RNA) where: Base-Base interactions energy: -104.754 where: short stacking energy: -49.742 Base-Backbone interact. energy: -0.823 local terms energy: -71.000202 where: bonds (distance) C4'-P energy: -21.430 bonds (distance) P-C4' energy: -18.291 flat angles C4'-P-C4' energy: -16.199 flat angles P-C4'-P energy: -12.092 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -186.146759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.146759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.146759 (E_RNA) where: Base-Base interactions energy: -108.635 where: short stacking energy: -51.405 Base-Backbone interact. energy: -0.968 local terms energy: -76.543952 where: bonds (distance) C4'-P energy: -15.160 bonds (distance) P-C4' energy: -22.786 flat angles C4'-P-C4' energy: -17.312 flat angles P-C4'-P energy: -10.259 tors. eta vs tors. theta energy: -11.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -118.596252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.596252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.596252 (E_RNA) where: Base-Base interactions energy: -58.816 where: short stacking energy: -39.815 Base-Backbone interact. energy: -0.216 local terms energy: -59.564676 where: bonds (distance) C4'-P energy: -14.716 bonds (distance) P-C4' energy: -15.502 flat angles C4'-P-C4' energy: -18.164 flat angles P-C4'-P energy: -9.869 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -354.015962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.015962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.015962 (E_RNA) where: Base-Base interactions energy: -231.844 where: short stacking energy: -104.891 Base-Backbone interact. energy: -1.430 local terms energy: -120.741736 where: bonds (distance) C4'-P energy: -28.264 bonds (distance) P-C4' energy: -26.175 flat angles C4'-P-C4' energy: -24.572 flat angles P-C4'-P energy: -16.763 tors. eta vs tors. theta energy: -24.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -357.622115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.622115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.622115 (E_RNA) where: Base-Base interactions energy: -252.314 where: short stacking energy: -105.774 Base-Backbone interact. energy: -0.351 local terms energy: -104.956737 where: bonds (distance) C4'-P energy: -22.832 bonds (distance) P-C4' energy: -24.302 flat angles C4'-P-C4' energy: -20.953 flat angles P-C4'-P energy: -14.896 tors. eta vs tors. theta energy: -21.973 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: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -338.706606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.706606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.706606 (E_RNA) where: Base-Base interactions energy: -226.723 where: short stacking energy: -89.888 Base-Backbone interact. energy: -0.241 local terms energy: -111.743032 where: bonds (distance) C4'-P energy: -18.797 bonds (distance) P-C4' energy: -24.735 flat angles C4'-P-C4' energy: -23.157 flat angles P-C4'-P energy: -22.219 tors. eta vs tors. theta energy: -22.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -282.497948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.497948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.497948 (E_RNA) where: Base-Base interactions energy: -169.108 where: short stacking energy: -83.961 Base-Backbone interact. energy: -0.440 local terms energy: -112.950178 where: bonds (distance) C4'-P energy: -24.631 bonds (distance) P-C4' energy: -27.495 flat angles C4'-P-C4' energy: -20.159 flat angles P-C4'-P energy: -19.720 tors. eta vs tors. theta energy: -20.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -227.297685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.297685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.297685 (E_RNA) where: Base-Base interactions energy: -129.126 where: short stacking energy: -70.589 Base-Backbone interact. energy: -1.819 local terms energy: -96.352810 where: bonds (distance) C4'-P energy: -24.445 bonds (distance) P-C4' energy: -24.019 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -17.977 tors. eta vs tors. theta energy: -15.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -224.817626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.817626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.817626 (E_RNA) where: Base-Base interactions energy: -119.585 where: short stacking energy: -66.220 Base-Backbone interact. energy: -0.166 local terms energy: -105.066567 where: bonds (distance) C4'-P energy: -22.633 bonds (distance) P-C4' energy: -28.115 flat angles C4'-P-C4' energy: -22.248 flat angles P-C4'-P energy: -15.365 tors. eta vs tors. theta energy: -16.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -236.966291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.966291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.966291 (E_RNA) where: Base-Base interactions energy: -149.575 where: short stacking energy: -72.482 Base-Backbone interact. energy: -1.148 local terms energy: -86.243452 where: bonds (distance) C4'-P energy: -19.810 bonds (distance) P-C4' energy: -23.975 flat angles C4'-P-C4' energy: -17.454 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -17.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -199.451253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.451253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.451253 (E_RNA) where: Base-Base interactions energy: -108.395 where: short stacking energy: -53.599 Base-Backbone interact. energy: -0.554 local terms energy: -90.502009 where: bonds (distance) C4'-P energy: -23.146 bonds (distance) P-C4' energy: -20.487 flat angles C4'-P-C4' energy: -16.983 flat angles P-C4'-P energy: -16.810 tors. eta vs tors. theta energy: -13.075 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: 14 Temperature: 1.300000 Total energy: -239.580184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.580184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.580184 (E_RNA) where: Base-Base interactions energy: -150.606 where: short stacking energy: -74.570 Base-Backbone interact. energy: -0.357 local terms energy: -88.616705 where: bonds (distance) C4'-P energy: -17.108 bonds (distance) P-C4' energy: -22.713 flat angles C4'-P-C4' energy: -20.086 flat angles P-C4'-P energy: -16.812 tors. eta vs tors. theta energy: -11.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -120.275286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.275286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.275286 (E_RNA) where: Base-Base interactions energy: -56.610 where: short stacking energy: -36.610 Base-Backbone interact. energy: 0.278 local terms energy: -63.943964 where: bonds (distance) C4'-P energy: -19.328 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -18.844 flat angles P-C4'-P energy: -9.793 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: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -353.304425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.304425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.304425 (E_RNA) where: Base-Base interactions energy: -231.198 where: short stacking energy: -109.028 Base-Backbone interact. energy: -0.866 local terms energy: -121.241092 where: bonds (distance) C4'-P energy: -22.891 bonds (distance) P-C4' energy: -28.641 flat angles C4'-P-C4' energy: -26.128 flat angles P-C4'-P energy: -12.054 tors. eta vs tors. theta energy: -31.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -343.209395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.209395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.209395 (E_RNA) where: Base-Base interactions energy: -229.873 where: short stacking energy: -96.898 Base-Backbone interact. energy: 1.458 local terms energy: -114.794170 where: bonds (distance) C4'-P energy: -23.498 bonds (distance) P-C4' energy: -26.464 flat angles C4'-P-C4' energy: -27.256 flat angles P-C4'-P energy: -15.594 tors. eta vs tors. theta energy: -21.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -337.109157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.109157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.109157 (E_RNA) where: Base-Base interactions energy: -239.029 where: short stacking energy: -87.880 Base-Backbone interact. energy: -1.599 local terms energy: -96.481145 where: bonds (distance) C4'-P energy: -22.203 bonds (distance) P-C4' energy: -20.231 flat angles C4'-P-C4' energy: -21.310 flat angles P-C4'-P energy: -11.133 tors. eta vs tors. theta energy: -21.603 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: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -277.639680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.639680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.639680 (E_RNA) where: Base-Base interactions energy: -173.675 where: short stacking energy: -87.718 Base-Backbone interact. energy: -1.100 local terms energy: -102.864376 where: bonds (distance) C4'-P energy: -18.690 bonds (distance) P-C4' energy: -24.174 flat angles C4'-P-C4' energy: -21.928 flat angles P-C4'-P energy: -17.700 tors. eta vs tors. theta energy: -20.373 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: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -239.120122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.120122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.120122 (E_RNA) where: Base-Base interactions energy: -143.919 where: short stacking energy: -72.559 Base-Backbone interact. energy: -0.629 local terms energy: -94.571786 where: bonds (distance) C4'-P energy: -23.197 bonds (distance) P-C4' energy: -22.910 flat angles C4'-P-C4' energy: -16.394 flat angles P-C4'-P energy: -14.764 tors. eta vs tors. theta energy: -17.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -271.296769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.296769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.296769 (E_RNA) where: Base-Base interactions energy: -173.618 where: short stacking energy: -89.720 Base-Backbone interact. energy: 1.265 local terms energy: -98.944185 where: bonds (distance) C4'-P energy: -16.186 bonds (distance) P-C4' energy: -19.351 flat angles C4'-P-C4' energy: -19.613 flat angles P-C4'-P energy: -20.035 tors. eta vs tors. theta energy: -23.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -203.902089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.902089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.902089 (E_RNA) where: Base-Base interactions energy: -109.828 where: short stacking energy: -61.338 Base-Backbone interact. energy: -0.105 local terms energy: -93.969083 where: bonds (distance) C4'-P energy: -22.360 bonds (distance) P-C4' energy: -25.872 flat angles C4'-P-C4' energy: -19.448 flat angles P-C4'-P energy: -14.461 tors. eta vs tors. theta energy: -11.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -218.158613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.158613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.158613 (E_RNA) where: Base-Base interactions energy: -134.676 where: short stacking energy: -54.844 Base-Backbone interact. energy: -0.553 local terms energy: -82.929807 where: bonds (distance) C4'-P energy: -24.502 bonds (distance) P-C4' energy: -21.679 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -16.575 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -199.886712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.886712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.886712 (E_RNA) where: Base-Base interactions energy: -104.409 where: short stacking energy: -63.653 Base-Backbone interact. energy: -0.363 local terms energy: -95.114690 where: bonds (distance) C4'-P energy: -18.163 bonds (distance) P-C4' energy: -23.475 flat angles C4'-P-C4' energy: -26.096 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -16.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -157.602031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.602031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.602031 (E_RNA) where: Base-Base interactions energy: -87.499 where: short stacking energy: -62.078 Base-Backbone interact. energy: -0.331 local terms energy: -69.772490 where: bonds (distance) C4'-P energy: -18.483 bonds (distance) P-C4' energy: -20.394 flat angles C4'-P-C4' energy: -19.308 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -5.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -350.698627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.698627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.698627 (E_RNA) where: Base-Base interactions energy: -246.814 where: short stacking energy: -91.470 Base-Backbone interact. energy: -2.068 local terms energy: -101.817112 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -21.114 flat angles C4'-P-C4' energy: -25.972 flat angles P-C4'-P energy: -16.640 tors. eta vs tors. theta energy: -24.174 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: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -347.152837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.152837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.152837 (E_RNA) where: Base-Base interactions energy: -229.657 where: short stacking energy: -107.824 Base-Backbone interact. energy: -0.577 local terms energy: -116.918599 where: bonds (distance) C4'-P energy: -23.974 bonds (distance) P-C4' energy: -24.968 flat angles C4'-P-C4' energy: -27.281 flat angles P-C4'-P energy: -13.169 tors. eta vs tors. theta energy: -27.526 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: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -294.994040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.994040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.994040 (E_RNA) where: Base-Base interactions energy: -190.173 where: short stacking energy: -92.389 Base-Backbone interact. energy: 0.262 local terms energy: -105.082861 where: bonds (distance) C4'-P energy: -21.669 bonds (distance) P-C4' energy: -24.744 flat angles C4'-P-C4' energy: -21.670 flat angles P-C4'-P energy: -18.782 tors. eta vs tors. theta energy: -18.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -348.775974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.775974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.775974 (E_RNA) where: Base-Base interactions energy: -241.260 where: short stacking energy: -104.439 Base-Backbone interact. energy: -0.750 local terms energy: -106.765418 where: bonds (distance) C4'-P energy: -21.167 bonds (distance) P-C4' energy: -21.186 flat angles C4'-P-C4' energy: -27.504 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -27.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -262.298007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.298007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.298007 (E_RNA) where: Base-Base interactions energy: -162.312 where: short stacking energy: -91.099 Base-Backbone interact. energy: -0.798 local terms energy: -99.187978 where: bonds (distance) C4'-P energy: -17.425 bonds (distance) P-C4' energy: -22.615 flat angles C4'-P-C4' energy: -22.415 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -24.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -238.648842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.648842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.648842 (E_RNA) where: Base-Base interactions energy: -150.650 where: short stacking energy: -80.111 Base-Backbone interact. energy: -2.118 local terms energy: -85.880485 where: bonds (distance) C4'-P energy: -20.213 bonds (distance) P-C4' energy: -20.686 flat angles C4'-P-C4' energy: -16.498 flat angles P-C4'-P energy: -13.851 tors. eta vs tors. theta energy: -14.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -252.672180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.672180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.672180 (E_RNA) where: Base-Base interactions energy: -162.605 where: short stacking energy: -70.780 Base-Backbone interact. energy: -0.383 local terms energy: -89.684129 where: bonds (distance) C4'-P energy: -17.563 bonds (distance) P-C4' energy: -21.334 flat angles C4'-P-C4' energy: -16.317 flat angles P-C4'-P energy: -16.643 tors. eta vs tors. theta energy: -17.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -177.283634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.283634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.283634 (E_RNA) where: Base-Base interactions energy: -89.742 where: short stacking energy: -51.005 Base-Backbone interact. energy: -0.451 local terms energy: -87.091087 where: bonds (distance) C4'-P energy: -21.969 bonds (distance) P-C4' energy: -21.766 flat angles C4'-P-C4' energy: -19.944 flat angles P-C4'-P energy: -15.517 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: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -184.028137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.028137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.028137 (E_RNA) where: Base-Base interactions energy: -103.177 where: short stacking energy: -56.826 Base-Backbone interact. energy: -0.540 local terms energy: -80.310526 where: bonds (distance) C4'-P energy: -20.606 bonds (distance) P-C4' energy: -19.185 flat angles C4'-P-C4' energy: -17.386 flat angles P-C4'-P energy: -14.814 tors. eta vs tors. theta energy: -8.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -134.856646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.856646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.856646 (E_RNA) where: Base-Base interactions energy: -78.032 where: short stacking energy: -46.233 Base-Backbone interact. energy: 3.223 local terms energy: -60.047760 where: bonds (distance) C4'-P energy: -23.878 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -350.770173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.770173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.770173 (E_RNA) where: Base-Base interactions energy: -238.131 where: short stacking energy: -95.510 Base-Backbone interact. energy: -1.660 local terms energy: -110.978977 where: bonds (distance) C4'-P energy: -20.162 bonds (distance) P-C4' energy: -23.489 flat angles C4'-P-C4' energy: -26.023 flat angles P-C4'-P energy: -17.355 tors. eta vs tors. theta energy: -23.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -349.558648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.558648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.558648 (E_RNA) where: Base-Base interactions energy: -236.691 where: short stacking energy: -101.875 Base-Backbone interact. energy: -0.345 local terms energy: -112.522223 where: bonds (distance) C4'-P energy: -24.902 bonds (distance) P-C4' energy: -26.849 flat angles C4'-P-C4' energy: -22.765 flat angles P-C4'-P energy: -11.038 tors. eta vs tors. theta energy: -26.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -302.600240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.600240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.600240 (E_RNA) where: Base-Base interactions energy: -187.511 where: short stacking energy: -104.968 Base-Backbone interact. energy: -0.391 local terms energy: -114.698247 where: bonds (distance) C4'-P energy: -22.353 bonds (distance) P-C4' energy: -24.324 flat angles C4'-P-C4' energy: -22.789 flat angles P-C4'-P energy: -19.558 tors. eta vs tors. theta energy: -25.675 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: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -358.349277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.349277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.349277 (E_RNA) where: Base-Base interactions energy: -244.469 where: short stacking energy: -119.131 Base-Backbone interact. energy: 1.961 local terms energy: -115.840943 where: bonds (distance) C4'-P energy: -18.496 bonds (distance) P-C4' energy: -30.016 flat angles C4'-P-C4' energy: -24.840 flat angles P-C4'-P energy: -14.064 tors. eta vs tors. theta energy: -28.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -267.156912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.156912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.156912 (E_RNA) where: Base-Base interactions energy: -172.569 where: short stacking energy: -96.959 Base-Backbone interact. energy: -0.924 local terms energy: -93.663637 where: bonds (distance) C4'-P energy: -14.822 bonds (distance) P-C4' energy: -19.915 flat angles C4'-P-C4' energy: -24.351 flat angles P-C4'-P energy: -16.592 tors. eta vs tors. theta energy: -17.984 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: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -247.600350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.600350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.600350 (E_RNA) where: Base-Base interactions energy: -149.882 where: short stacking energy: -64.691 Base-Backbone interact. energy: -1.126 local terms energy: -96.592281 where: bonds (distance) C4'-P energy: -24.971 bonds (distance) P-C4' energy: -24.670 flat angles C4'-P-C4' energy: -22.569 flat angles P-C4'-P energy: -15.431 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: 7, replica: 5 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -218.453965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.453965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.453965 (E_RNA) where: Base-Base interactions energy: -131.101 where: short stacking energy: -73.956 Base-Backbone interact. energy: -0.004 local terms energy: -87.349022 where: bonds (distance) C4'-P energy: -20.433 bonds (distance) P-C4' energy: -21.801 flat angles C4'-P-C4' energy: -18.761 flat angles P-C4'-P energy: -15.406 tors. eta vs tors. theta energy: -10.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -221.359828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.359828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.359828 (E_RNA) where: Base-Base interactions energy: -120.271 where: short stacking energy: -77.281 Base-Backbone interact. energy: -0.233 local terms energy: -100.855716 where: bonds (distance) C4'-P energy: -26.075 bonds (distance) P-C4' energy: -20.890 flat angles C4'-P-C4' energy: -24.934 flat angles P-C4'-P energy: -16.032 tors. eta vs tors. theta energy: -12.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -183.007365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.007365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.007365 (E_RNA) where: Base-Base interactions energy: -107.160 where: short stacking energy: -56.829 Base-Backbone interact. energy: -1.356 local terms energy: -74.491398 where: bonds (distance) C4'-P energy: -16.519 bonds (distance) P-C4' energy: -21.742 flat angles C4'-P-C4' energy: -19.911 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -180.674607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.674607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.674607 (E_RNA) where: Base-Base interactions energy: -88.944 where: short stacking energy: -38.856 Base-Backbone interact. energy: 0.002 local terms energy: -91.732567 where: bonds (distance) C4'-P energy: -23.213 bonds (distance) P-C4' energy: -28.709 flat angles C4'-P-C4' energy: -22.437 flat angles P-C4'-P energy: -18.787 tors. eta vs tors. theta energy: 1.413 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: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -365.915178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.915178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.915178 (E_RNA) where: Base-Base interactions energy: -245.191 where: short stacking energy: -103.505 Base-Backbone interact. energy: -1.026 local terms energy: -119.697908 where: bonds (distance) C4'-P energy: -28.288 bonds (distance) P-C4' energy: -28.201 flat angles C4'-P-C4' energy: -22.855 flat angles P-C4'-P energy: -13.023 tors. eta vs tors. theta energy: -27.331 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: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -354.062584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.062584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.062584 (E_RNA) where: Base-Base interactions energy: -251.255 where: short stacking energy: -94.407 Base-Backbone interact. energy: -0.622 local terms energy: -102.184958 where: bonds (distance) C4'-P energy: -22.107 bonds (distance) P-C4' energy: -20.991 flat angles C4'-P-C4' energy: -19.951 flat angles P-C4'-P energy: -17.996 tors. eta vs tors. theta energy: -21.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -356.608306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.608306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.608306 (E_RNA) where: Base-Base interactions energy: -233.707 where: short stacking energy: -102.378 Base-Backbone interact. energy: -0.007 local terms energy: -122.894685 where: bonds (distance) C4'-P energy: -24.317 bonds (distance) P-C4' energy: -18.735 flat angles C4'-P-C4' energy: -25.567 flat angles P-C4'-P energy: -19.694 tors. eta vs tors. theta energy: -34.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -271.244529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.244529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.244529 (E_RNA) where: Base-Base interactions energy: -162.013 where: short stacking energy: -80.212 Base-Backbone interact. energy: -0.496 local terms energy: -108.735479 where: bonds (distance) C4'-P energy: -23.209 bonds (distance) P-C4' energy: -25.847 flat angles C4'-P-C4' energy: -17.821 flat angles P-C4'-P energy: -16.047 tors. eta vs tors. theta energy: -25.812 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: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -285.207350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.207350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.207350 (E_RNA) where: Base-Base interactions energy: -174.716 where: short stacking energy: -92.161 Base-Backbone interact. energy: -0.834 local terms energy: -109.657535 where: bonds (distance) C4'-P energy: -24.820 bonds (distance) P-C4' energy: -22.171 flat angles C4'-P-C4' energy: -22.568 flat angles P-C4'-P energy: -12.352 tors. eta vs tors. theta energy: -27.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -248.281285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.281285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.281285 (E_RNA) where: Base-Base interactions energy: -153.176 where: short stacking energy: -86.212 Base-Backbone interact. energy: -0.134 local terms energy: -94.971427 where: bonds (distance) C4'-P energy: -22.224 bonds (distance) P-C4' energy: -20.118 flat angles C4'-P-C4' energy: -26.211 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -17.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -250.638769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.638769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.638769 (E_RNA) where: Base-Base interactions energy: -162.792 where: short stacking energy: -69.419 Base-Backbone interact. energy: -2.024 local terms energy: -85.822423 where: bonds (distance) C4'-P energy: -20.220 bonds (distance) P-C4' energy: -24.706 flat angles C4'-P-C4' energy: -17.834 flat angles P-C4'-P energy: -12.153 tors. eta vs tors. theta energy: -10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -205.078966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.078966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.078966 (E_RNA) where: Base-Base interactions energy: -119.421 where: short stacking energy: -72.581 Base-Backbone interact. energy: -0.342 local terms energy: -85.315678 where: bonds (distance) C4'-P energy: -16.061 bonds (distance) P-C4' energy: -21.562 flat angles C4'-P-C4' energy: -21.626 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -16.034 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: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -200.120978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.120978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.120978 (E_RNA) where: Base-Base interactions energy: -118.430 where: short stacking energy: -70.731 Base-Backbone interact. energy: -0.031 local terms energy: -81.659046 where: bonds (distance) C4'-P energy: -18.402 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -25.735 flat angles P-C4'-P energy: -13.804 tors. eta vs tors. theta energy: -11.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -117.094061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.094061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.094061 (E_RNA) where: Base-Base interactions energy: -47.425 where: short stacking energy: -43.289 Base-Backbone interact. energy: -0.060 local terms energy: -69.608164 where: bonds (distance) C4'-P energy: -17.797 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -17.907 flat angles P-C4'-P energy: -16.232 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: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -350.369568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.369568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.369568 (E_RNA) where: Base-Base interactions energy: -237.015 where: short stacking energy: -104.599 Base-Backbone interact. energy: -0.548 local terms energy: -112.806814 where: bonds (distance) C4'-P energy: -20.581 bonds (distance) P-C4' energy: -25.586 flat angles C4'-P-C4' energy: -20.050 flat angles P-C4'-P energy: -18.307 tors. eta vs tors. theta energy: -28.283 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: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -362.402485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.402485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.402485 (E_RNA) where: Base-Base interactions energy: -251.706 where: short stacking energy: -92.060 Base-Backbone interact. energy: -0.994 local terms energy: -109.702220 where: bonds (distance) C4'-P energy: -24.119 bonds (distance) P-C4' energy: -20.268 flat angles C4'-P-C4' energy: -27.670 flat angles P-C4'-P energy: -17.110 tors. eta vs tors. theta energy: -20.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -360.995178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.995178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.995178 (E_RNA) where: Base-Base interactions energy: -237.915 where: short stacking energy: -106.832 Base-Backbone interact. energy: -0.322 local terms energy: -122.758137 where: bonds (distance) C4'-P energy: -27.722 bonds (distance) P-C4' energy: -24.598 flat angles C4'-P-C4' energy: -24.446 flat angles P-C4'-P energy: -15.840 tors. eta vs tors. theta energy: -30.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -322.220392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.220392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.220392 (E_RNA) where: Base-Base interactions energy: -204.251 where: short stacking energy: -109.278 Base-Backbone interact. energy: -0.490 local terms energy: -117.479201 where: bonds (distance) C4'-P energy: -23.061 bonds (distance) P-C4' energy: -18.460 flat angles C4'-P-C4' energy: -23.492 flat angles P-C4'-P energy: -18.807 tors. eta vs tors. theta energy: -33.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -262.215014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.215014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.215014 (E_RNA) where: Base-Base interactions energy: -153.538 where: short stacking energy: -78.455 Base-Backbone interact. energy: -1.209 local terms energy: -107.468072 where: bonds (distance) C4'-P energy: -19.356 bonds (distance) P-C4' energy: -23.537 flat angles C4'-P-C4' energy: -26.568 flat angles P-C4'-P energy: -17.174 tors. eta vs tors. theta energy: -20.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -255.176081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.176081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.176081 (E_RNA) where: Base-Base interactions energy: -164.284 where: short stacking energy: -72.503 Base-Backbone interact. energy: -0.971 local terms energy: -89.920581 where: bonds (distance) C4'-P energy: -22.139 bonds (distance) P-C4' energy: -25.233 flat angles C4'-P-C4' energy: -18.225 flat angles P-C4'-P energy: -12.451 tors. eta vs tors. theta energy: -11.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -250.794497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.794497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.794497 (E_RNA) where: Base-Base interactions energy: -157.431 where: short stacking energy: -72.524 Base-Backbone interact. energy: -0.871 local terms energy: -92.492216 where: bonds (distance) C4'-P energy: -19.629 bonds (distance) P-C4' energy: -16.517 flat angles C4'-P-C4' energy: -21.686 flat angles P-C4'-P energy: -18.855 tors. eta vs tors. theta energy: -15.805 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: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -192.400049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.400049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.400049 (E_RNA) where: Base-Base interactions energy: -115.752 where: short stacking energy: -64.017 Base-Backbone interact. energy: -0.138 local terms energy: -76.510524 where: bonds (distance) C4'-P energy: -13.751 bonds (distance) P-C4' energy: -20.310 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -18.986 tors. eta vs tors. theta energy: -10.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -191.565305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.565305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.565305 (E_RNA) where: Base-Base interactions energy: -102.465 where: short stacking energy: -52.488 Base-Backbone interact. energy: -0.524 local terms energy: -88.575848 where: bonds (distance) C4'-P energy: -23.622 bonds (distance) P-C4' energy: -23.431 flat angles C4'-P-C4' energy: -21.878 flat angles P-C4'-P energy: -11.653 tors. eta vs tors. theta energy: -7.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -142.083005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.083005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.083005 (E_RNA) where: Base-Base interactions energy: -71.486 where: short stacking energy: -31.753 Base-Backbone interact. energy: -0.758 local terms energy: -69.838797 where: bonds (distance) C4'-P energy: -17.243 bonds (distance) P-C4' energy: -22.174 flat angles C4'-P-C4' energy: -16.741 flat angles P-C4'-P energy: -20.169 tors. eta vs tors. theta energy: 6.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -382.388385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.388385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.388385 (E_RNA) where: Base-Base interactions energy: -264.382 where: short stacking energy: -95.812 Base-Backbone interact. energy: -1.591 local terms energy: -116.415648 where: bonds (distance) C4'-P energy: -28.769 bonds (distance) P-C4' energy: -25.487 flat angles C4'-P-C4' energy: -25.447 flat angles P-C4'-P energy: -18.603 tors. eta vs tors. theta energy: -18.109 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: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -353.622157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.622157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.622157 (E_RNA) where: Base-Base interactions energy: -241.409 where: short stacking energy: -102.096 Base-Backbone interact. energy: -0.173 local terms energy: -112.039969 where: bonds (distance) C4'-P energy: -25.905 bonds (distance) P-C4' energy: -24.980 flat angles C4'-P-C4' energy: -23.328 flat angles P-C4'-P energy: -13.484 tors. eta vs tors. theta energy: -24.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -356.610434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.610434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.610434 (E_RNA) where: Base-Base interactions energy: -235.442 where: short stacking energy: -102.050 Base-Backbone interact. energy: -0.312 local terms energy: -120.856494 where: bonds (distance) C4'-P energy: -25.332 bonds (distance) P-C4' energy: -26.883 flat angles C4'-P-C4' energy: -25.190 flat angles P-C4'-P energy: -17.614 tors. eta vs tors. theta energy: -25.838 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: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -335.355701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.355701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.355701 (E_RNA) where: Base-Base interactions energy: -222.192 where: short stacking energy: -110.957 Base-Backbone interact. energy: -0.040 local terms energy: -113.123145 where: bonds (distance) C4'-P energy: -20.738 bonds (distance) P-C4' energy: -24.775 flat angles C4'-P-C4' energy: -17.004 flat angles P-C4'-P energy: -19.062 tors. eta vs tors. theta energy: -31.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -267.768627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.768627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.768627 (E_RNA) where: Base-Base interactions energy: -172.999 where: short stacking energy: -83.712 Base-Backbone interact. energy: -0.751 local terms energy: -94.018324 where: bonds (distance) C4'-P energy: -17.676 bonds (distance) P-C4' energy: -23.786 flat angles C4'-P-C4' energy: -26.975 flat angles P-C4'-P energy: -10.786 tors. eta vs tors. theta energy: -14.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -241.836816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.836816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.836816 (E_RNA) where: Base-Base interactions energy: -143.575 where: short stacking energy: -80.368 Base-Backbone interact. energy: -0.745 local terms energy: -97.516332 where: bonds (distance) C4'-P energy: -21.793 bonds (distance) P-C4' energy: -24.770 flat angles C4'-P-C4' energy: -22.861 flat angles P-C4'-P energy: -13.676 tors. eta vs tors. theta energy: -14.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -247.802639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.802639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.802639 (E_RNA) where: Base-Base interactions energy: -156.309 where: short stacking energy: -69.931 Base-Backbone interact. energy: -0.336 local terms energy: -91.157519 where: bonds (distance) C4'-P energy: -22.103 bonds (distance) P-C4' energy: -20.986 flat angles C4'-P-C4' energy: -23.745 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -14.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -183.830333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.830333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.830333 (E_RNA) where: Base-Base interactions energy: -100.183 where: short stacking energy: -63.041 Base-Backbone interact. energy: -0.107 local terms energy: -83.540507 where: bonds (distance) C4'-P energy: -21.256 bonds (distance) P-C4' energy: -22.445 flat angles C4'-P-C4' energy: -20.025 flat angles P-C4'-P energy: -13.888 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -214.829905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.829905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.829905 (E_RNA) where: Base-Base interactions energy: -137.887 where: short stacking energy: -55.371 Base-Backbone interact. energy: -0.257 local terms energy: -76.686270 where: bonds (distance) C4'-P energy: -24.422 bonds (distance) P-C4' energy: -19.807 flat angles C4'-P-C4' energy: -11.906 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -10.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -124.104481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.104481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.104481 (E_RNA) where: Base-Base interactions energy: -46.909 where: short stacking energy: -46.909 Base-Backbone interact. energy: -0.186 local terms energy: -77.009362 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -21.065 flat angles C4'-P-C4' energy: -26.236 flat angles P-C4'-P energy: -10.996 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: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -384.761426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.761426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.761426 (E_RNA) where: Base-Base interactions energy: -275.661 where: short stacking energy: -108.368 Base-Backbone interact. energy: -0.880 local terms energy: -108.220368 where: bonds (distance) C4'-P energy: -22.548 bonds (distance) P-C4' energy: -25.614 flat angles C4'-P-C4' energy: -23.226 flat angles P-C4'-P energy: -14.748 tors. eta vs tors. theta energy: -22.084 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: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -379.920675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.920675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.920675 (E_RNA) where: Base-Base interactions energy: -254.007 where: short stacking energy: -112.311 Base-Backbone interact. energy: -0.685 local terms energy: -125.228131 where: bonds (distance) C4'-P energy: -23.182 bonds (distance) P-C4' energy: -21.139 flat angles C4'-P-C4' energy: -26.463 flat angles P-C4'-P energy: -19.396 tors. eta vs tors. theta energy: -35.047 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: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -359.505780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.505780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.505780 (E_RNA) where: Base-Base interactions energy: -239.586 where: short stacking energy: -118.792 Base-Backbone interact. energy: -0.264 local terms energy: -119.656289 where: bonds (distance) C4'-P energy: -20.471 bonds (distance) P-C4' energy: -26.290 flat angles C4'-P-C4' energy: -27.869 flat angles P-C4'-P energy: -13.469 tors. eta vs tors. theta energy: -31.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -353.307770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.307770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.307770 (E_RNA) where: Base-Base interactions energy: -229.293 where: short stacking energy: -113.810 Base-Backbone interact. energy: -0.022 local terms energy: -123.993444 where: bonds (distance) C4'-P energy: -23.702 bonds (distance) P-C4' energy: -20.100 flat angles C4'-P-C4' energy: -24.240 flat angles P-C4'-P energy: -19.159 tors. eta vs tors. theta energy: -36.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -264.896054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.896054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.896054 (E_RNA) where: Base-Base interactions energy: -156.113 where: short stacking energy: -83.839 Base-Backbone interact. energy: -0.192 local terms energy: -108.590745 where: bonds (distance) C4'-P energy: -25.043 bonds (distance) P-C4' energy: -22.595 flat angles C4'-P-C4' energy: -22.289 flat angles P-C4'-P energy: -15.443 tors. eta vs tors. theta energy: -23.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -251.512140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.512140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.512140 (E_RNA) where: Base-Base interactions energy: -162.174 where: short stacking energy: -79.415 Base-Backbone interact. energy: -1.880 local terms energy: -87.457342 where: bonds (distance) C4'-P energy: -23.777 bonds (distance) P-C4' energy: -16.323 flat angles C4'-P-C4' energy: -20.750 flat angles P-C4'-P energy: -13.253 tors. eta vs tors. theta energy: -13.354 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: 7, replica: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -196.402429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.402429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.402429 (E_RNA) where: Base-Base interactions energy: -100.840 where: short stacking energy: -54.145 Base-Backbone interact. energy: -0.717 local terms energy: -94.844820 where: bonds (distance) C4'-P energy: -21.661 bonds (distance) P-C4' energy: -25.117 flat angles C4'-P-C4' energy: -22.146 flat angles P-C4'-P energy: -10.391 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -208.280428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.280428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.280428 (E_RNA) where: Base-Base interactions energy: -125.198 where: short stacking energy: -66.880 Base-Backbone interact. energy: -0.270 local terms energy: -82.812377 where: bonds (distance) C4'-P energy: -20.803 bonds (distance) P-C4' energy: -19.387 flat angles C4'-P-C4' energy: -22.768 flat angles P-C4'-P energy: -17.393 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -197.397447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.397447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.397447 (E_RNA) where: Base-Base interactions energy: -114.863 where: short stacking energy: -62.519 Base-Backbone interact. energy: 1.937 local terms energy: -84.471215 where: bonds (distance) C4'-P energy: -19.832 bonds (distance) P-C4' energy: -20.707 flat angles C4'-P-C4' energy: -23.899 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -7.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -117.413094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.413094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.413094 (E_RNA) where: Base-Base interactions energy: -42.089 where: short stacking energy: -42.082 Base-Backbone interact. energy: 1.380 local terms energy: -76.703940 where: bonds (distance) C4'-P energy: -21.739 bonds (distance) P-C4' energy: -24.889 flat angles C4'-P-C4' energy: -17.500 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -381.564388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.564388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.564388 (E_RNA) where: Base-Base interactions energy: -272.044 where: short stacking energy: -106.481 Base-Backbone interact. energy: 2.307 local terms energy: -111.827279 where: bonds (distance) C4'-P energy: -24.053 bonds (distance) P-C4' energy: -25.586 flat angles C4'-P-C4' energy: -28.189 flat angles P-C4'-P energy: -14.814 tors. eta vs tors. theta energy: -19.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -362.952492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.952492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.952492 (E_RNA) where: Base-Base interactions energy: -238.736 where: short stacking energy: -110.645 Base-Backbone interact. energy: -0.178 local terms energy: -124.038309 where: bonds (distance) C4'-P energy: -17.541 bonds (distance) P-C4' energy: -25.379 flat angles C4'-P-C4' energy: -25.690 flat angles P-C4'-P energy: -22.710 tors. eta vs tors. theta energy: -32.718 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: 3, replica: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -353.343324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.343324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.343324 (E_RNA) where: Base-Base interactions energy: -233.479 where: short stacking energy: -117.946 Base-Backbone interact. energy: -0.707 local terms energy: -119.157594 where: bonds (distance) C4'-P energy: -19.065 bonds (distance) P-C4' energy: -20.696 flat angles C4'-P-C4' energy: -26.813 flat angles P-C4'-P energy: -15.952 tors. eta vs tors. theta energy: -36.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -331.063671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.063671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.063671 (E_RNA) where: Base-Base interactions energy: -235.098 where: short stacking energy: -103.826 Base-Backbone interact. energy: 2.083 local terms energy: -98.048849 where: bonds (distance) C4'-P energy: -24.335 bonds (distance) P-C4' energy: -22.665 flat angles C4'-P-C4' energy: -20.706 flat angles P-C4'-P energy: -9.327 tors. eta vs tors. theta energy: -21.016 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: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -298.586096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.586096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.586096 (E_RNA) where: Base-Base interactions energy: -208.086 where: short stacking energy: -85.360 Base-Backbone interact. energy: -2.034 local terms energy: -88.466041 where: bonds (distance) C4'-P energy: -16.461 bonds (distance) P-C4' energy: -23.165 flat angles C4'-P-C4' energy: -24.564 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -14.814 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: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -259.518173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.518173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.518173 (E_RNA) where: Base-Base interactions energy: -162.621 where: short stacking energy: -78.677 Base-Backbone interact. energy: -0.173 local terms energy: -96.723400 where: bonds (distance) C4'-P energy: -23.478 bonds (distance) P-C4' energy: -23.674 flat angles C4'-P-C4' energy: -21.961 flat angles P-C4'-P energy: -15.901 tors. eta vs tors. theta energy: -11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -248.015875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.015875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.015875 (E_RNA) where: Base-Base interactions energy: -157.549 where: short stacking energy: -69.242 Base-Backbone interact. energy: -0.229 local terms energy: -90.237806 where: bonds (distance) C4'-P energy: -20.517 bonds (distance) P-C4' energy: -24.148 flat angles C4'-P-C4' energy: -20.335 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -20.582 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: 22 Temperature: 1.250000 Total energy: -181.014418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.014418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.014418 (E_RNA) where: Base-Base interactions energy: -95.386 where: short stacking energy: -53.698 Base-Backbone interact. energy: -0.130 local terms energy: -85.498732 where: bonds (distance) C4'-P energy: -21.727 bonds (distance) P-C4' energy: -23.896 flat angles C4'-P-C4' energy: -20.083 flat angles P-C4'-P energy: -13.858 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -202.408604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.408604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.408604 (E_RNA) where: Base-Base interactions energy: -121.106 where: short stacking energy: -63.305 Base-Backbone interact. energy: -0.628 local terms energy: -80.674793 where: bonds (distance) C4'-P energy: -19.449 bonds (distance) P-C4' energy: -17.832 flat angles C4'-P-C4' energy: -25.798 flat angles P-C4'-P energy: -14.087 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -123.542663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.542663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.542663 (E_RNA) where: Base-Base interactions energy: -51.325 where: short stacking energy: -46.260 Base-Backbone interact. energy: -0.105 local terms energy: -72.112409 where: bonds (distance) C4'-P energy: -21.604 bonds (distance) P-C4' energy: -20.118 flat angles C4'-P-C4' energy: -18.697 flat angles P-C4'-P energy: -14.641 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: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -385.367660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.367660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.367660 (E_RNA) where: Base-Base interactions energy: -267.574 where: short stacking energy: -111.424 Base-Backbone interact. energy: -1.437 local terms energy: -116.356799 where: bonds (distance) C4'-P energy: -26.840 bonds (distance) P-C4' energy: -26.843 flat angles C4'-P-C4' energy: -24.518 flat angles P-C4'-P energy: -13.556 tors. eta vs tors. theta energy: -24.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -361.671202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.671202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.671202 (E_RNA) where: Base-Base interactions energy: -240.518 where: short stacking energy: -118.977 Base-Backbone interact. energy: -0.688 local terms energy: -120.465078 where: bonds (distance) C4'-P energy: -20.020 bonds (distance) P-C4' energy: -20.912 flat angles C4'-P-C4' energy: -27.107 flat angles P-C4'-P energy: -19.329 tors. eta vs tors. theta energy: -33.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -394.323410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.323410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.323410 (E_RNA) where: Base-Base interactions energy: -269.851 where: short stacking energy: -117.226 Base-Backbone interact. energy: -0.990 local terms energy: -123.482425 where: bonds (distance) C4'-P energy: -25.337 bonds (distance) P-C4' energy: -22.420 flat angles C4'-P-C4' energy: -22.596 flat angles P-C4'-P energy: -17.480 tors. eta vs tors. theta energy: -35.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -317.557150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.557150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.557150 (E_RNA) where: Base-Base interactions energy: -206.179 where: short stacking energy: -97.455 Base-Backbone interact. energy: -0.741 local terms energy: -110.637346 where: bonds (distance) C4'-P energy: -19.979 bonds (distance) P-C4' energy: -21.803 flat angles C4'-P-C4' energy: -26.924 flat angles P-C4'-P energy: -18.257 tors. eta vs tors. theta energy: -23.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -258.082589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.082589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.082589 (E_RNA) where: Base-Base interactions energy: -166.047 where: short stacking energy: -70.505 Base-Backbone interact. energy: 0.378 local terms energy: -92.414029 where: bonds (distance) C4'-P energy: -21.317 bonds (distance) P-C4' energy: -24.987 flat angles C4'-P-C4' energy: -19.542 flat angles P-C4'-P energy: -19.840 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -255.517490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.517490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.517490 (E_RNA) where: Base-Base interactions energy: -168.746 where: short stacking energy: -76.382 Base-Backbone interact. energy: 0.586 local terms energy: -87.357125 where: bonds (distance) C4'-P energy: -20.031 bonds (distance) P-C4' energy: -24.777 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -15.489 tors. eta vs tors. theta energy: -13.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -257.972666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.972666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.972666 (E_RNA) where: Base-Base interactions energy: -162.924 where: short stacking energy: -79.712 Base-Backbone interact. energy: -0.205 local terms energy: -94.843913 where: bonds (distance) C4'-P energy: -19.268 bonds (distance) P-C4' energy: -20.452 flat angles C4'-P-C4' energy: -21.442 flat angles P-C4'-P energy: -17.204 tors. eta vs tors. theta energy: -16.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -211.217605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.217605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.217605 (E_RNA) where: Base-Base interactions energy: -120.121 where: short stacking energy: -63.466 Base-Backbone interact. energy: -0.152 local terms energy: -90.944166 where: bonds (distance) C4'-P energy: -23.370 bonds (distance) P-C4' energy: -26.668 flat angles C4'-P-C4' energy: -20.443 flat angles P-C4'-P energy: -12.180 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -168.677346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.677346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.677346 (E_RNA) where: Base-Base interactions energy: -84.202 where: short stacking energy: -47.783 Base-Backbone interact. energy: -1.213 local terms energy: -83.262022 where: bonds (distance) C4'-P energy: -17.173 bonds (distance) P-C4' energy: -26.875 flat angles C4'-P-C4' energy: -18.905 flat angles P-C4'-P energy: -16.384 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -114.749107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.749107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.749107 (E_RNA) where: Base-Base interactions energy: -34.754 where: short stacking energy: -34.754 Base-Backbone interact. energy: -0.245 local terms energy: -79.750308 where: bonds (distance) C4'-P energy: -20.974 bonds (distance) P-C4' energy: -20.579 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -17.552 tors. eta vs tors. theta energy: -7.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -381.782404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.782404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.782404 (E_RNA) where: Base-Base interactions energy: -263.165 where: short stacking energy: -104.771 Base-Backbone interact. energy: -1.325 local terms energy: -117.292954 where: bonds (distance) C4'-P energy: -28.780 bonds (distance) P-C4' energy: -24.622 flat angles C4'-P-C4' energy: -24.607 flat angles P-C4'-P energy: -16.484 tors. eta vs tors. theta energy: -22.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -354.931648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.931648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.931648 (E_RNA) where: Base-Base interactions energy: -232.260 where: short stacking energy: -116.487 Base-Backbone interact. energy: -1.010 local terms energy: -121.661599 where: bonds (distance) C4'-P energy: -22.683 bonds (distance) P-C4' energy: -23.533 flat angles C4'-P-C4' energy: -22.772 flat angles P-C4'-P energy: -18.412 tors. eta vs tors. theta energy: -34.261 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: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -302.603078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.603078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.603078 (E_RNA) where: Base-Base interactions energy: -203.818 where: short stacking energy: -82.544 Base-Backbone interact. energy: -0.517 local terms energy: -98.268200 where: bonds (distance) C4'-P energy: -21.126 bonds (distance) P-C4' energy: -24.948 flat angles C4'-P-C4' energy: -21.632 flat angles P-C4'-P energy: -12.537 tors. eta vs tors. theta energy: -18.026 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: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -363.914581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.914581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.914581 (E_RNA) where: Base-Base interactions energy: -249.666 where: short stacking energy: -106.120 Base-Backbone interact. energy: -0.823 local terms energy: -113.425949 where: bonds (distance) C4'-P energy: -18.042 bonds (distance) P-C4' energy: -21.499 flat angles C4'-P-C4' energy: -24.648 flat angles P-C4'-P energy: -18.761 tors. eta vs tors. theta energy: -30.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -282.722650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.722650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.722650 (E_RNA) where: Base-Base interactions energy: -177.682 where: short stacking energy: -84.083 Base-Backbone interact. energy: -1.127 local terms energy: -103.913106 where: bonds (distance) C4'-P energy: -19.400 bonds (distance) P-C4' energy: -22.798 flat angles C4'-P-C4' energy: -24.627 flat angles P-C4'-P energy: -13.977 tors. eta vs tors. theta energy: -23.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -266.111203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.111203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.111203 (E_RNA) where: Base-Base interactions energy: -173.068 where: short stacking energy: -66.891 Base-Backbone interact. energy: -0.537 local terms energy: -92.506771 where: bonds (distance) C4'-P energy: -16.552 bonds (distance) P-C4' energy: -21.912 flat angles C4'-P-C4' energy: -25.633 flat angles P-C4'-P energy: -12.350 tors. eta vs tors. theta energy: -16.059 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: 2 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -225.743347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.743347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.743347 (E_RNA) where: Base-Base interactions energy: -143.935 where: short stacking energy: -75.806 Base-Backbone interact. energy: -1.111 local terms energy: -80.697554 where: bonds (distance) C4'-P energy: -16.346 bonds (distance) P-C4' energy: -23.134 flat angles C4'-P-C4' energy: -20.528 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -10.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -231.243421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.243421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.243421 (E_RNA) where: Base-Base interactions energy: -142.075 where: short stacking energy: -65.217 Base-Backbone interact. energy: -0.603 local terms energy: -88.565464 where: bonds (distance) C4'-P energy: -20.224 bonds (distance) P-C4' energy: -23.125 flat angles C4'-P-C4' energy: -19.855 flat angles P-C4'-P energy: -13.671 tors. eta vs tors. theta energy: -11.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -185.920522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.920522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.920522 (E_RNA) where: Base-Base interactions energy: -117.171 where: short stacking energy: -60.612 Base-Backbone interact. energy: 0.906 local terms energy: -69.654815 where: bonds (distance) C4'-P energy: -22.087 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -20.161 flat angles P-C4'-P energy: -12.681 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -127.920989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.920989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.920989 (E_RNA) where: Base-Base interactions energy: -49.874 where: short stacking energy: -47.889 Base-Backbone interact. energy: -0.399 local terms energy: -77.648810 where: bonds (distance) C4'-P energy: -20.093 bonds (distance) P-C4' energy: -22.764 flat angles C4'-P-C4' energy: -16.307 flat angles P-C4'-P energy: -17.252 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: 25 Temperature: 0.900000 Total energy: -382.592552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.592552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.592552 (E_RNA) where: Base-Base interactions energy: -267.777 where: short stacking energy: -98.306 Base-Backbone interact. energy: -1.214 local terms energy: -113.601447 where: bonds (distance) C4'-P energy: -28.794 bonds (distance) P-C4' energy: -27.438 flat angles C4'-P-C4' energy: -19.382 flat angles P-C4'-P energy: -13.649 tors. eta vs tors. theta energy: -24.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -364.475028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.475028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.475028 (E_RNA) where: Base-Base interactions energy: -240.449 where: short stacking energy: -121.272 Base-Backbone interact. energy: -0.087 local terms energy: -123.938855 where: bonds (distance) C4'-P energy: -21.464 bonds (distance) P-C4' energy: -20.828 flat angles C4'-P-C4' energy: -26.807 flat angles P-C4'-P energy: -18.194 tors. eta vs tors. theta energy: -36.646 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: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -293.515156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.515156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.515156 (E_RNA) where: Base-Base interactions energy: -179.411 where: short stacking energy: -104.398 Base-Backbone interact. energy: -0.307 local terms energy: -113.796945 where: bonds (distance) C4'-P energy: -19.805 bonds (distance) P-C4' energy: -22.494 flat angles C4'-P-C4' energy: -26.385 flat angles P-C4'-P energy: -15.383 tors. eta vs tors. theta energy: -29.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -361.726256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.726256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.726256 (E_RNA) where: Base-Base interactions energy: -250.145 where: short stacking energy: -109.661 Base-Backbone interact. energy: -0.195 local terms energy: -111.385399 where: bonds (distance) C4'-P energy: -19.501 bonds (distance) P-C4' energy: -19.297 flat angles C4'-P-C4' energy: -26.397 flat angles P-C4'-P energy: -16.509 tors. eta vs tors. theta energy: -29.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -300.298020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.298020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.298020 (E_RNA) where: Base-Base interactions energy: -200.805 where: short stacking energy: -92.119 Base-Backbone interact. energy: -0.175 local terms energy: -99.317802 where: bonds (distance) C4'-P energy: -21.091 bonds (distance) P-C4' energy: -21.573 flat angles C4'-P-C4' energy: -21.863 flat angles P-C4'-P energy: -14.883 tors. eta vs tors. theta energy: -19.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -244.302092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.302092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.302092 (E_RNA) where: Base-Base interactions energy: -150.090 where: short stacking energy: -67.362 Base-Backbone interact. energy: -0.176 local terms energy: -94.036340 where: bonds (distance) C4'-P energy: -21.908 bonds (distance) P-C4' energy: -22.818 flat angles C4'-P-C4' energy: -20.762 flat angles P-C4'-P energy: -18.542 tors. eta vs tors. theta energy: -10.005 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: 7, replica: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -223.262173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.262173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.262173 (E_RNA) where: Base-Base interactions energy: -134.540 where: short stacking energy: -62.574 Base-Backbone interact. energy: -0.541 local terms energy: -88.181895 where: bonds (distance) C4'-P energy: -17.120 bonds (distance) P-C4' energy: -18.926 flat angles C4'-P-C4' energy: -26.085 flat angles P-C4'-P energy: -17.317 tors. eta vs tors. theta energy: -8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -232.455962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.455962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.455962 (E_RNA) where: Base-Base interactions energy: -137.747 where: short stacking energy: -65.596 Base-Backbone interact. energy: -0.193 local terms energy: -94.515320 where: bonds (distance) C4'-P energy: -22.427 bonds (distance) P-C4' energy: -16.055 flat angles C4'-P-C4' energy: -25.616 flat angles P-C4'-P energy: -14.016 tors. eta vs tors. theta energy: -16.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -190.316051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.316051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.316051 (E_RNA) where: Base-Base interactions energy: -110.460 where: short stacking energy: -48.761 Base-Backbone interact. energy: -0.442 local terms energy: -79.413872 where: bonds (distance) C4'-P energy: -21.856 bonds (distance) P-C4' energy: -25.497 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -16.617 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: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -116.223997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.223997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.223997 (E_RNA) where: Base-Base interactions energy: -49.259 where: short stacking energy: -32.989 Base-Backbone interact. energy: 0.794 local terms energy: -67.758758 where: bonds (distance) C4'-P energy: -24.969 bonds (distance) P-C4' energy: -18.069 flat angles C4'-P-C4' energy: -18.639 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: 3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -365.423931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.423931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.423931 (E_RNA) where: Base-Base interactions energy: -238.585 where: short stacking energy: -123.050 Base-Backbone interact. energy: -0.090 local terms energy: -126.748585 where: bonds (distance) C4'-P energy: -24.252 bonds (distance) P-C4' energy: -24.510 flat angles C4'-P-C4' energy: -28.499 flat angles P-C4'-P energy: -15.094 tors. eta vs tors. theta energy: -34.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -340.720305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.720305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.720305 (E_RNA) where: Base-Base interactions energy: -229.188 where: short stacking energy: -97.540 Base-Backbone interact. energy: -0.659 local terms energy: -110.873537 where: bonds (distance) C4'-P energy: -23.031 bonds (distance) P-C4' energy: -24.648 flat angles C4'-P-C4' energy: -21.874 flat angles P-C4'-P energy: -21.114 tors. eta vs tors. theta energy: -20.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -372.062389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.062389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.062389 (E_RNA) where: Base-Base interactions energy: -257.345 where: short stacking energy: -112.727 Base-Backbone interact. energy: -2.152 local terms energy: -112.565642 where: bonds (distance) C4'-P energy: -18.728 bonds (distance) P-C4' energy: -20.153 flat angles C4'-P-C4' energy: -21.807 flat angles P-C4'-P energy: -19.737 tors. eta vs tors. theta energy: -32.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -286.462609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.462609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.462609 (E_RNA) where: Base-Base interactions energy: -166.728 where: short stacking energy: -91.400 Base-Backbone interact. energy: -0.074 local terms energy: -119.660597 where: bonds (distance) C4'-P energy: -24.808 bonds (distance) P-C4' energy: -29.638 flat angles C4'-P-C4' energy: -25.344 flat angles P-C4'-P energy: -13.037 tors. eta vs tors. theta energy: -26.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -297.262191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.262191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.262191 (E_RNA) where: Base-Base interactions energy: -193.314 where: short stacking energy: -89.287 Base-Backbone interact. energy: -0.059 local terms energy: -103.888317 where: bonds (distance) C4'-P energy: -22.613 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -25.286 flat angles P-C4'-P energy: -17.124 tors. eta vs tors. theta energy: -22.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -307.454885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.454885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.454885 (E_RNA) where: Base-Base interactions energy: -211.183 where: short stacking energy: -99.320 Base-Backbone interact. energy: -0.150 local terms energy: -96.121169 where: bonds (distance) C4'-P energy: -17.312 bonds (distance) P-C4' energy: -17.279 flat angles C4'-P-C4' energy: -21.289 flat angles P-C4'-P energy: -19.108 tors. eta vs tors. theta energy: -21.134 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: 26 Temperature: 1.200000 Total energy: -247.257092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.257092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.257092 (E_RNA) where: Base-Base interactions energy: -154.766 where: short stacking energy: -86.177 Base-Backbone interact. energy: -0.234 local terms energy: -92.256904 where: bonds (distance) C4'-P energy: -21.063 bonds (distance) P-C4' energy: -19.112 flat angles C4'-P-C4' energy: -24.447 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: -16.034 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: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -271.237827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.237827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.237827 (E_RNA) where: Base-Base interactions energy: -174.822 where: short stacking energy: -77.290 Base-Backbone interact. energy: -1.280 local terms energy: -95.135636 where: bonds (distance) C4'-P energy: -18.326 bonds (distance) P-C4' energy: -20.482 flat angles C4'-P-C4' energy: -23.500 flat angles P-C4'-P energy: -13.651 tors. eta vs tors. theta energy: -19.177 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: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -185.721198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.721198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.721198 (E_RNA) where: Base-Base interactions energy: -101.883 where: short stacking energy: -55.986 Base-Backbone interact. energy: -0.401 local terms energy: -83.437366 where: bonds (distance) C4'-P energy: -15.953 bonds (distance) P-C4' energy: -27.877 flat angles C4'-P-C4' energy: -20.723 flat angles P-C4'-P energy: -9.659 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: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -120.567172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.567172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.567172 (E_RNA) where: Base-Base interactions energy: -44.318 where: short stacking energy: -29.199 Base-Backbone interact. energy: -0.284 local terms energy: -75.965969 where: bonds (distance) C4'-P energy: -20.732 bonds (distance) P-C4' energy: -25.233 flat angles C4'-P-C4' energy: -16.268 flat angles P-C4'-P energy: -13.586 tors. eta vs tors. theta energy: -0.147 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: 1, replica: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -373.551405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.551405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.551405 (E_RNA) where: Base-Base interactions energy: -240.221 where: short stacking energy: -126.019 Base-Backbone interact. energy: -0.593 local terms energy: -132.737922 where: bonds (distance) C4'-P energy: -23.110 bonds (distance) P-C4' energy: -25.472 flat angles C4'-P-C4' energy: -26.012 flat angles P-C4'-P energy: -18.909 tors. eta vs tors. theta energy: -39.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -379.226168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.226168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.226168 (E_RNA) where: Base-Base interactions energy: -273.820 where: short stacking energy: -110.167 Base-Backbone interact. energy: 0.045 local terms energy: -105.451333 where: bonds (distance) C4'-P energy: -25.052 bonds (distance) P-C4' energy: -21.347 flat angles C4'-P-C4' energy: -22.639 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -26.689 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: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -335.525666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.525666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.525666 (E_RNA) where: Base-Base interactions energy: -225.316 where: short stacking energy: -92.059 Base-Backbone interact. energy: -2.028 local terms energy: -108.182516 where: bonds (distance) C4'-P energy: -24.576 bonds (distance) P-C4' energy: -25.924 flat angles C4'-P-C4' energy: -19.927 flat angles P-C4'-P energy: -17.413 tors. eta vs tors. theta energy: -20.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -314.535787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.535787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.535787 (E_RNA) where: Base-Base interactions energy: -205.500 where: short stacking energy: -104.174 Base-Backbone interact. energy: -0.268 local terms energy: -108.767949 where: bonds (distance) C4'-P energy: -23.532 bonds (distance) P-C4' energy: -21.746 flat angles C4'-P-C4' energy: -21.060 flat angles P-C4'-P energy: -15.930 tors. eta vs tors. theta energy: -26.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -258.220756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.220756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.220756 (E_RNA) where: Base-Base interactions energy: -153.468 where: short stacking energy: -81.332 Base-Backbone interact. energy: 2.031 local terms energy: -106.783937 where: bonds (distance) C4'-P energy: -19.451 bonds (distance) P-C4' energy: -24.325 flat angles C4'-P-C4' energy: -24.196 flat angles P-C4'-P energy: -16.044 tors. eta vs tors. theta energy: -22.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -292.124461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.124461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.124461 (E_RNA) where: Base-Base interactions energy: -179.053 where: short stacking energy: -76.624 Base-Backbone interact. energy: -0.445 local terms energy: -112.627058 where: bonds (distance) C4'-P energy: -24.318 bonds (distance) P-C4' energy: -26.910 flat angles C4'-P-C4' energy: -22.792 flat angles P-C4'-P energy: -17.129 tors. eta vs tors. theta energy: -21.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -210.111413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.111413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.111413 (E_RNA) where: Base-Base interactions energy: -117.649 where: short stacking energy: -64.141 Base-Backbone interact. energy: -0.065 local terms energy: -92.397731 where: bonds (distance) C4'-P energy: -21.610 bonds (distance) P-C4' energy: -22.025 flat angles C4'-P-C4' energy: -23.300 flat angles P-C4'-P energy: -13.864 tors. eta vs tors. theta energy: -11.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -255.362494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.362494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.362494 (E_RNA) where: Base-Base interactions energy: -158.396 where: short stacking energy: -69.686 Base-Backbone interact. energy: 0.225 local terms energy: -97.191315 where: bonds (distance) C4'-P energy: -20.437 bonds (distance) P-C4' energy: -21.449 flat angles C4'-P-C4' energy: -21.197 flat angles P-C4'-P energy: -16.877 tors. eta vs tors. theta energy: -17.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -208.542913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.542913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.542913 (E_RNA) where: Base-Base interactions energy: -115.255 where: short stacking energy: -72.769 Base-Backbone interact. energy: -0.774 local terms energy: -92.513924 where: bonds (distance) C4'-P energy: -23.784 bonds (distance) P-C4' energy: -14.742 flat angles C4'-P-C4' energy: -26.527 flat angles P-C4'-P energy: -13.968 tors. eta vs tors. theta energy: -13.493 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: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -125.643794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.643794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.643794 (E_RNA) where: Base-Base interactions energy: -48.971 where: short stacking energy: -48.971 Base-Backbone interact. energy: 2.120 local terms energy: -78.793515 where: bonds (distance) C4'-P energy: -24.662 bonds (distance) P-C4' energy: -20.826 flat angles C4'-P-C4' energy: -15.404 flat angles P-C4'-P energy: -12.245 tors. eta vs tors. theta energy: -5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -418.219273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.219273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.219273 (E_RNA) where: Base-Base interactions energy: -297.995 where: short stacking energy: -112.398 Base-Backbone interact. energy: -0.129 local terms energy: -120.094723 where: bonds (distance) C4'-P energy: -25.752 bonds (distance) P-C4' energy: -26.201 flat angles C4'-P-C4' energy: -24.076 flat angles P-C4'-P energy: -13.105 tors. eta vs tors. theta energy: -30.961 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: 28 Temperature: 0.950000 Total energy: -366.985941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.985941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.985941 (E_RNA) where: Base-Base interactions energy: -238.598 where: short stacking energy: -124.026 Base-Backbone interact. energy: -0.640 local terms energy: -127.747936 where: bonds (distance) C4'-P energy: -23.234 bonds (distance) P-C4' energy: -26.576 flat angles C4'-P-C4' energy: -25.790 flat angles P-C4'-P energy: -16.036 tors. eta vs tors. theta energy: -36.112 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: 3, replica: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -324.912838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.912838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.912838 (E_RNA) where: Base-Base interactions energy: -220.443 where: short stacking energy: -96.793 Base-Backbone interact. energy: 0.126 local terms energy: -104.594911 where: bonds (distance) C4'-P energy: -19.855 bonds (distance) P-C4' energy: -23.963 flat angles C4'-P-C4' energy: -23.348 flat angles P-C4'-P energy: -12.083 tors. eta vs tors. theta energy: -25.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -317.181565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.181565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.181565 (E_RNA) where: Base-Base interactions energy: -222.722 where: short stacking energy: -89.991 Base-Backbone interact. energy: -0.444 local terms energy: -94.015598 where: bonds (distance) C4'-P energy: -20.249 bonds (distance) P-C4' energy: -23.350 flat angles C4'-P-C4' energy: -21.935 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -17.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -269.521611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.521611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.521611 (E_RNA) where: Base-Base interactions energy: -154.318 where: short stacking energy: -90.148 Base-Backbone interact. energy: -0.173 local terms energy: -115.030666 where: bonds (distance) C4'-P energy: -27.271 bonds (distance) P-C4' energy: -27.490 flat angles C4'-P-C4' energy: -20.460 flat angles P-C4'-P energy: -18.145 tors. eta vs tors. theta energy: -21.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -275.025915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.025915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.025915 (E_RNA) where: Base-Base interactions energy: -184.078 where: short stacking energy: -75.432 Base-Backbone interact. energy: 0.682 local terms energy: -91.629954 where: bonds (distance) C4'-P energy: -17.811 bonds (distance) P-C4' energy: -22.146 flat angles C4'-P-C4' energy: -25.456 flat angles P-C4'-P energy: -15.213 tors. eta vs tors. theta energy: -11.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -259.891220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.891220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.891220 (E_RNA) where: Base-Base interactions energy: -157.604 where: short stacking energy: -75.792 Base-Backbone interact. energy: -0.370 local terms energy: -101.917633 where: bonds (distance) C4'-P energy: -22.065 bonds (distance) P-C4' energy: -24.039 flat angles C4'-P-C4' energy: -23.030 flat angles P-C4'-P energy: -12.908 tors. eta vs tors. theta energy: -19.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -209.281519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.281519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.281519 (E_RNA) where: Base-Base interactions energy: -126.202 where: short stacking energy: -74.661 Base-Backbone interact. energy: -0.255 local terms energy: -82.823792 where: bonds (distance) C4'-P energy: -17.894 bonds (distance) P-C4' energy: -16.775 flat angles C4'-P-C4' energy: -21.585 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -13.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -179.519054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.519054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.519054 (E_RNA) where: Base-Base interactions energy: -99.457 where: short stacking energy: -50.918 Base-Backbone interact. energy: -0.235 local terms energy: -79.827361 where: bonds (distance) C4'-P energy: -23.528 bonds (distance) P-C4' energy: -17.528 flat angles C4'-P-C4' energy: -19.514 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -10.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -119.369202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.369202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.369202 (E_RNA) where: Base-Base interactions energy: -39.953 where: short stacking energy: -37.798 Base-Backbone interact. energy: -1.617 local terms energy: -77.799617 where: bonds (distance) C4'-P energy: -21.869 bonds (distance) P-C4' energy: -20.711 flat angles C4'-P-C4' energy: -19.552 flat angles P-C4'-P energy: -11.319 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: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -419.376020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.376020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.376020 (E_RNA) where: Base-Base interactions energy: -300.884 where: short stacking energy: -123.047 Base-Backbone interact. energy: -1.015 local terms energy: -117.476992 where: bonds (distance) C4'-P energy: -23.326 bonds (distance) P-C4' energy: -20.498 flat angles C4'-P-C4' energy: -23.182 flat angles P-C4'-P energy: -13.292 tors. eta vs tors. theta energy: -37.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -365.760973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.760973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.760973 (E_RNA) where: Base-Base interactions energy: -237.936 where: short stacking energy: -115.596 Base-Backbone interact. energy: -0.184 local terms energy: -127.641045 where: bonds (distance) C4'-P energy: -21.314 bonds (distance) P-C4' energy: -24.792 flat angles C4'-P-C4' energy: -27.850 flat angles P-C4'-P energy: -17.029 tors. eta vs tors. theta energy: -36.656 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: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -314.395145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.395145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.395145 (E_RNA) where: Base-Base interactions energy: -210.598 where: short stacking energy: -97.767 Base-Backbone interact. energy: 0.643 local terms energy: -104.439698 where: bonds (distance) C4'-P energy: -20.349 bonds (distance) P-C4' energy: -22.203 flat angles C4'-P-C4' energy: -21.684 flat angles P-C4'-P energy: -17.718 tors. eta vs tors. theta energy: -22.486 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: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -316.365609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.365609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.365609 (E_RNA) where: Base-Base interactions energy: -222.723 where: short stacking energy: -95.274 Base-Backbone interact. energy: -1.545 local terms energy: -92.096907 where: bonds (distance) C4'-P energy: -15.721 bonds (distance) P-C4' energy: -17.543 flat angles C4'-P-C4' energy: -26.127 flat angles P-C4'-P energy: -15.215 tors. eta vs tors. theta energy: -17.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -290.297507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.297507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.297507 (E_RNA) where: Base-Base interactions energy: -190.435 where: short stacking energy: -92.768 Base-Backbone interact. energy: -0.910 local terms energy: -98.952589 where: bonds (distance) C4'-P energy: -23.016 bonds (distance) P-C4' energy: -22.232 flat angles C4'-P-C4' energy: -16.782 flat angles P-C4'-P energy: -15.927 tors. eta vs tors. theta energy: -20.996 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: 2 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -257.596050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.596050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.596050 (E_RNA) where: Base-Base interactions energy: -174.603 where: short stacking energy: -76.473 Base-Backbone interact. energy: -0.697 local terms energy: -82.296428 where: bonds (distance) C4'-P energy: -18.154 bonds (distance) P-C4' energy: -22.413 flat angles C4'-P-C4' energy: -23.837 flat angles P-C4'-P energy: -12.018 tors. eta vs tors. theta energy: -5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -266.884339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.884339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.884339 (E_RNA) where: Base-Base interactions energy: -182.595 where: short stacking energy: -80.721 Base-Backbone interact. energy: -0.108 local terms energy: -84.181603 where: bonds (distance) C4'-P energy: -22.733 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -21.878 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -15.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -199.850753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.850753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.850753 (E_RNA) where: Base-Base interactions energy: -116.198 where: short stacking energy: -60.235 Base-Backbone interact. energy: -0.414 local terms energy: -83.237853 where: bonds (distance) C4'-P energy: -23.325 bonds (distance) P-C4' energy: -23.172 flat angles C4'-P-C4' energy: -19.079 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -9.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -209.456207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.456207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.456207 (E_RNA) where: Base-Base interactions energy: -125.490 where: short stacking energy: -56.786 Base-Backbone interact. energy: -0.087 local terms energy: -83.879449 where: bonds (distance) C4'-P energy: -22.869 bonds (distance) P-C4' energy: -23.983 flat angles C4'-P-C4' energy: -20.079 flat angles P-C4'-P energy: -11.264 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: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -117.642410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.642410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.642410 (E_RNA) where: Base-Base interactions energy: -60.086 where: short stacking energy: -45.820 Base-Backbone interact. energy: 2.266 local terms energy: -59.822372 where: bonds (distance) C4'-P energy: -12.122 bonds (distance) P-C4' energy: -18.441 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -403.294415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.294415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.294415 (E_RNA) where: Base-Base interactions energy: -293.097 where: short stacking energy: -126.005 Base-Backbone interact. energy: -0.021 local terms energy: -110.176430 where: bonds (distance) C4'-P energy: -17.696 bonds (distance) P-C4' energy: -23.867 flat angles C4'-P-C4' energy: -24.399 flat angles P-C4'-P energy: -13.152 tors. eta vs tors. theta energy: -31.063 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: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -366.172712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.172712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.172712 (E_RNA) where: Base-Base interactions energy: -238.299 where: short stacking energy: -115.200 Base-Backbone interact. energy: -0.297 local terms energy: -127.576295 where: bonds (distance) C4'-P energy: -20.052 bonds (distance) P-C4' energy: -25.500 flat angles C4'-P-C4' energy: -25.238 flat angles P-C4'-P energy: -22.096 tors. eta vs tors. theta energy: -34.690 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: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -316.300189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.300189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.300189 (E_RNA) where: Base-Base interactions energy: -205.852 where: short stacking energy: -100.293 Base-Backbone interact. energy: -0.189 local terms energy: -110.260090 where: bonds (distance) C4'-P energy: -22.604 bonds (distance) P-C4' energy: -21.239 flat angles C4'-P-C4' energy: -21.722 flat angles P-C4'-P energy: -17.479 tors. eta vs tors. theta energy: -27.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -335.392892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.392892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.392892 (E_RNA) where: Base-Base interactions energy: -224.435 where: short stacking energy: -81.163 Base-Backbone interact. energy: -1.472 local terms energy: -109.485273 where: bonds (distance) C4'-P energy: -25.850 bonds (distance) P-C4' energy: -22.784 flat angles C4'-P-C4' energy: -24.804 flat angles P-C4'-P energy: -16.852 tors. eta vs tors. theta energy: -19.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -323.990884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.990884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.990884 (E_RNA) where: Base-Base interactions energy: -214.291 where: short stacking energy: -95.609 Base-Backbone interact. energy: 0.369 local terms energy: -110.068762 where: bonds (distance) C4'-P energy: -21.467 bonds (distance) P-C4' energy: -25.343 flat angles C4'-P-C4' energy: -22.084 flat angles P-C4'-P energy: -18.562 tors. eta vs tors. theta energy: -22.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -266.222106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.222106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.222106 (E_RNA) where: Base-Base interactions energy: -166.996 where: short stacking energy: -79.891 Base-Backbone interact. energy: -0.205 local terms energy: -99.021472 where: bonds (distance) C4'-P energy: -21.028 bonds (distance) P-C4' energy: -24.162 flat angles C4'-P-C4' energy: -23.750 flat angles P-C4'-P energy: -14.163 tors. eta vs tors. theta energy: -15.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -279.413331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.413331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.413331 (E_RNA) where: Base-Base interactions energy: -177.985 where: short stacking energy: -74.380 Base-Backbone interact. energy: -0.882 local terms energy: -100.546012 where: bonds (distance) C4'-P energy: -23.351 bonds (distance) P-C4' energy: -25.963 flat angles C4'-P-C4' energy: -25.343 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -15.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -192.019431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.019431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.019431 (E_RNA) where: Base-Base interactions energy: -106.762 where: short stacking energy: -53.652 Base-Backbone interact. energy: -0.145 local terms energy: -85.113127 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -24.820 flat angles C4'-P-C4' energy: -22.078 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -11.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -232.240639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.240639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.240639 (E_RNA) where: Base-Base interactions energy: -139.769 where: short stacking energy: -71.071 Base-Backbone interact. energy: -0.590 local terms energy: -91.881757 where: bonds (distance) C4'-P energy: -23.570 bonds (distance) P-C4' energy: -22.927 flat angles C4'-P-C4' energy: -19.211 flat angles P-C4'-P energy: -11.878 tors. eta vs tors. theta energy: -14.296 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: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -128.740619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.740619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.740619 (E_RNA) where: Base-Base interactions energy: -57.859 where: short stacking energy: -54.129 Base-Backbone interact. energy: -0.438 local terms energy: -70.443217 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -23.694 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -8.580 tors. eta vs tors. theta energy: -7.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -422.989051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.989051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.989051 (E_RNA) where: Base-Base interactions energy: -297.001 where: short stacking energy: -129.065 Base-Backbone interact. energy: -0.017 local terms energy: -125.971406 where: bonds (distance) C4'-P energy: -25.028 bonds (distance) P-C4' energy: -21.924 flat angles C4'-P-C4' energy: -25.544 flat angles P-C4'-P energy: -17.814 tors. eta vs tors. theta energy: -35.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -360.210203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.210203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.210203 (E_RNA) where: Base-Base interactions energy: -235.765 where: short stacking energy: -120.574 Base-Backbone interact. energy: -0.174 local terms energy: -124.271046 where: bonds (distance) C4'-P energy: -18.526 bonds (distance) P-C4' energy: -24.500 flat angles C4'-P-C4' energy: -23.313 flat angles P-C4'-P energy: -17.967 tors. eta vs tors. theta energy: -39.966 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: 5 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -359.083325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.083325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.083325 (E_RNA) where: Base-Base interactions energy: -235.787 where: short stacking energy: -107.364 Base-Backbone interact. energy: 0.613 local terms energy: -123.909382 where: bonds (distance) C4'-P energy: -26.297 bonds (distance) P-C4' energy: -20.430 flat angles C4'-P-C4' energy: -28.489 flat angles P-C4'-P energy: -20.324 tors. eta vs tors. theta energy: -28.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -325.550476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.550476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.550476 (E_RNA) where: Base-Base interactions energy: -221.831 where: short stacking energy: -93.638 Base-Backbone interact. energy: -0.155 local terms energy: -103.564747 where: bonds (distance) C4'-P energy: -23.998 bonds (distance) P-C4' energy: -21.822 flat angles C4'-P-C4' energy: -22.269 flat angles P-C4'-P energy: -18.187 tors. eta vs tors. theta energy: -17.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -333.271872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.271872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.271872 (E_RNA) where: Base-Base interactions energy: -227.024 where: short stacking energy: -91.369 Base-Backbone interact. energy: 1.728 local terms energy: -107.975898 where: bonds (distance) C4'-P energy: -22.646 bonds (distance) P-C4' energy: -26.635 flat angles C4'-P-C4' energy: -23.906 flat angles P-C4'-P energy: -11.600 tors. eta vs tors. theta energy: -23.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -278.143290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.143290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.143290 (E_RNA) where: Base-Base interactions energy: -176.925 where: short stacking energy: -65.191 Base-Backbone interact. energy: -0.474 local terms energy: -100.744915 where: bonds (distance) C4'-P energy: -25.257 bonds (distance) P-C4' energy: -24.397 flat angles C4'-P-C4' energy: -23.153 flat angles P-C4'-P energy: -12.276 tors. eta vs tors. theta energy: -15.662 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: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -264.539337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.539337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.539337 (E_RNA) where: Base-Base interactions energy: -169.518 where: short stacking energy: -82.607 Base-Backbone interact. energy: 0.179 local terms energy: -95.200465 where: bonds (distance) C4'-P energy: -20.938 bonds (distance) P-C4' energy: -18.824 flat angles C4'-P-C4' energy: -26.885 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -17.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -255.155989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.155989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.155989 (E_RNA) where: Base-Base interactions energy: -174.538 where: short stacking energy: -76.055 Base-Backbone interact. energy: -1.111 local terms energy: -79.507318 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -18.491 flat angles C4'-P-C4' energy: -17.872 flat angles P-C4'-P energy: -14.213 tors. eta vs tors. theta energy: -15.308 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: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -192.688037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.688037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.688037 (E_RNA) where: Base-Base interactions energy: -115.010 where: short stacking energy: -67.940 Base-Backbone interact. energy: 1.792 local terms energy: -79.470143 where: bonds (distance) C4'-P energy: -16.208 bonds (distance) P-C4' energy: -20.406 flat angles C4'-P-C4' energy: -18.994 flat angles P-C4'-P energy: -12.076 tors. eta vs tors. theta energy: -11.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -125.524847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.524847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.524847 (E_RNA) where: Base-Base interactions energy: -56.590 where: short stacking energy: -36.453 Base-Backbone interact. energy: 0.223 local terms energy: -69.158364 where: bonds (distance) C4'-P energy: -19.859 bonds (distance) P-C4' energy: -24.074 flat angles C4'-P-C4' energy: -17.031 flat angles P-C4'-P energy: -11.637 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: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -410.744143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.744143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.744143 (E_RNA) where: Base-Base interactions energy: -292.725 where: short stacking energy: -119.290 Base-Backbone interact. energy: -0.011 local terms energy: -118.007772 where: bonds (distance) C4'-P energy: -20.718 bonds (distance) P-C4' energy: -21.470 flat angles C4'-P-C4' energy: -24.619 flat angles P-C4'-P energy: -18.458 tors. eta vs tors. theta energy: -32.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -364.693080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.693080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.693080 (E_RNA) where: Base-Base interactions energy: -239.022 where: short stacking energy: -118.872 Base-Backbone interact. energy: -0.164 local terms energy: -125.506996 where: bonds (distance) C4'-P energy: -21.760 bonds (distance) P-C4' energy: -28.125 flat angles C4'-P-C4' energy: -25.216 flat angles P-C4'-P energy: -15.722 tors. eta vs tors. theta energy: -34.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -365.689866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.689866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.689866 (E_RNA) where: Base-Base interactions energy: -252.814 where: short stacking energy: -108.233 Base-Backbone interact. energy: -0.275 local terms energy: -112.600807 where: bonds (distance) C4'-P energy: -21.930 bonds (distance) P-C4' energy: -23.170 flat angles C4'-P-C4' energy: -26.179 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -29.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -349.817712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.817712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.817712 (E_RNA) where: Base-Base interactions energy: -249.138 where: short stacking energy: -97.705 Base-Backbone interact. energy: -0.215 local terms energy: -100.464873 where: bonds (distance) C4'-P energy: -24.057 bonds (distance) P-C4' energy: -20.193 flat angles C4'-P-C4' energy: -21.694 flat angles P-C4'-P energy: -15.318 tors. eta vs tors. theta energy: -19.204 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: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -322.432082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.432082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.432082 (E_RNA) where: Base-Base interactions energy: -216.484 where: short stacking energy: -97.295 Base-Backbone interact. energy: -2.189 local terms energy: -103.759041 where: bonds (distance) C4'-P energy: -20.078 bonds (distance) P-C4' energy: -18.884 flat angles C4'-P-C4' energy: -25.522 flat angles P-C4'-P energy: -16.504 tors. eta vs tors. theta energy: -22.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -296.448939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.448939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.448939 (E_RNA) where: Base-Base interactions energy: -187.648 where: short stacking energy: -89.128 Base-Backbone interact. energy: -0.244 local terms energy: -108.557148 where: bonds (distance) C4'-P energy: -21.223 bonds (distance) P-C4' energy: -23.862 flat angles C4'-P-C4' energy: -22.093 flat angles P-C4'-P energy: -17.176 tors. eta vs tors. theta energy: -24.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -261.966940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.966940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.966940 (E_RNA) where: Base-Base interactions energy: -170.765 where: short stacking energy: -87.515 Base-Backbone interact. energy: -0.032 local terms energy: -91.170309 where: bonds (distance) C4'-P energy: -18.052 bonds (distance) P-C4' energy: -22.774 flat angles C4'-P-C4' energy: -20.699 flat angles P-C4'-P energy: -13.939 tors. eta vs tors. theta energy: -15.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -235.785028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.785028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.785028 (E_RNA) where: Base-Base interactions energy: -161.108 where: short stacking energy: -60.165 Base-Backbone interact. energy: 0.772 local terms energy: -75.448797 where: bonds (distance) C4'-P energy: -20.543 bonds (distance) P-C4' energy: -24.452 flat angles C4'-P-C4' energy: -18.077 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -128.438224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.438224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.438224 (E_RNA) where: Base-Base interactions energy: -63.202 where: short stacking energy: -29.629 Base-Backbone interact. energy: -0.265 local terms energy: -64.970902 where: bonds (distance) C4'-P energy: -18.502 bonds (distance) P-C4' energy: -20.531 flat angles C4'-P-C4' energy: -18.207 flat angles P-C4'-P energy: -12.072 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: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -195.748259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.748259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.748259 (E_RNA) where: Base-Base interactions energy: -110.206 where: short stacking energy: -58.994 Base-Backbone interact. energy: -0.112 local terms energy: -85.430096 where: bonds (distance) C4'-P energy: -15.458 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -19.284 flat angles P-C4'-P energy: -16.981 tors. eta vs tors. theta energy: -16.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -418.818870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.818870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.818870 (E_RNA) where: Base-Base interactions energy: -291.481 where: short stacking energy: -126.138 Base-Backbone interact. energy: -0.963 local terms energy: -126.375097 where: bonds (distance) C4'-P energy: -23.880 bonds (distance) P-C4' energy: -20.245 flat angles C4'-P-C4' energy: -27.279 flat angles P-C4'-P energy: -20.200 tors. eta vs tors. theta energy: -34.772 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: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -365.887386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.887386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.887386 (E_RNA) where: Base-Base interactions energy: -242.837 where: short stacking energy: -111.473 Base-Backbone interact. energy: -0.264 local terms energy: -122.785634 where: bonds (distance) C4'-P energy: -22.778 bonds (distance) P-C4' energy: -28.568 flat angles C4'-P-C4' energy: -24.048 flat angles P-C4'-P energy: -15.937 tors. eta vs tors. theta energy: -31.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -356.465852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.465852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.465852 (E_RNA) where: Base-Base interactions energy: -234.447 where: short stacking energy: -109.073 Base-Backbone interact. energy: -1.635 local terms energy: -120.383450 where: bonds (distance) C4'-P energy: -22.143 bonds (distance) P-C4' energy: -24.431 flat angles C4'-P-C4' energy: -27.397 flat angles P-C4'-P energy: -19.014 tors. eta vs tors. theta energy: -27.398 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: 33 Temperature: 1.050000 Total energy: -336.869321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.869321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.869321 (E_RNA) where: Base-Base interactions energy: -225.470 where: short stacking energy: -93.704 Base-Backbone interact. energy: -0.740 local terms energy: -110.658811 where: bonds (distance) C4'-P energy: -22.492 bonds (distance) P-C4' energy: -22.593 flat angles C4'-P-C4' energy: -25.379 flat angles P-C4'-P energy: -16.440 tors. eta vs tors. theta energy: -23.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -317.335227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.335227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.335227 (E_RNA) where: Base-Base interactions energy: -214.147 where: short stacking energy: -94.537 Base-Backbone interact. energy: -0.136 local terms energy: -103.051851 where: bonds (distance) C4'-P energy: -20.203 bonds (distance) P-C4' energy: -18.481 flat angles C4'-P-C4' energy: -27.781 flat angles P-C4'-P energy: -13.587 tors. eta vs tors. theta energy: -23.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -290.983900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.983900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.983900 (E_RNA) where: Base-Base interactions energy: -188.956 where: short stacking energy: -94.964 Base-Backbone interact. energy: -0.617 local terms energy: -101.411015 where: bonds (distance) C4'-P energy: -19.304 bonds (distance) P-C4' energy: -21.816 flat angles C4'-P-C4' energy: -19.686 flat angles P-C4'-P energy: -17.962 tors. eta vs tors. theta energy: -22.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -246.479945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.479945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.479945 (E_RNA) where: Base-Base interactions energy: -158.445 where: short stacking energy: -70.548 Base-Backbone interact. energy: -0.430 local terms energy: -87.605420 where: bonds (distance) C4'-P energy: -20.461 bonds (distance) P-C4' energy: -20.116 flat angles C4'-P-C4' energy: -23.014 flat angles P-C4'-P energy: -11.909 tors. eta vs tors. theta energy: -12.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -229.694893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.694893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.694893 (E_RNA) where: Base-Base interactions energy: -145.845 where: short stacking energy: -68.334 Base-Backbone interact. energy: -0.109 local terms energy: -83.740839 where: bonds (distance) C4'-P energy: -23.615 bonds (distance) P-C4' energy: -23.056 flat angles C4'-P-C4' energy: -18.200 flat angles P-C4'-P energy: -14.158 tors. eta vs tors. theta energy: -4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -146.406891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.406891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.406891 (E_RNA) where: Base-Base interactions energy: -69.203 where: short stacking energy: -46.655 Base-Backbone interact. energy: -0.496 local terms energy: -76.708341 where: bonds (distance) C4'-P energy: -18.966 bonds (distance) P-C4' energy: -18.459 flat angles C4'-P-C4' energy: -22.453 flat angles P-C4'-P energy: -10.096 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: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -177.405005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.405005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.405005 (E_RNA) where: Base-Base interactions energy: -102.379 where: short stacking energy: -52.889 Base-Backbone interact. energy: -0.161 local terms energy: -74.865193 where: bonds (distance) C4'-P energy: -19.382 bonds (distance) P-C4' energy: -16.292 flat angles C4'-P-C4' energy: -18.698 flat angles P-C4'-P energy: -15.427 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: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -412.012958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.012958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.012958 (E_RNA) where: Base-Base interactions energy: -276.926 where: short stacking energy: -122.295 Base-Backbone interact. energy: -1.521 local terms energy: -133.566142 where: bonds (distance) C4'-P energy: -23.381 bonds (distance) P-C4' energy: -29.263 flat angles C4'-P-C4' energy: -24.199 flat angles P-C4'-P energy: -21.425 tors. eta vs tors. theta energy: -35.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -364.165761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.165761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.165761 (E_RNA) where: Base-Base interactions energy: -240.764 where: short stacking energy: -102.877 Base-Backbone interact. energy: -0.682 local terms energy: -122.719087 where: bonds (distance) C4'-P energy: -22.655 bonds (distance) P-C4' energy: -21.370 flat angles C4'-P-C4' energy: -26.820 flat angles P-C4'-P energy: -17.121 tors. eta vs tors. theta energy: -34.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -369.729079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.729079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.729079 (E_RNA) where: Base-Base interactions energy: -248.519 where: short stacking energy: -108.572 Base-Backbone interact. energy: -1.351 local terms energy: -119.859955 where: bonds (distance) C4'-P energy: -21.429 bonds (distance) P-C4' energy: -24.651 flat angles C4'-P-C4' energy: -26.287 flat angles P-C4'-P energy: -18.709 tors. eta vs tors. theta energy: -28.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -326.369150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.369150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.369150 (E_RNA) where: Base-Base interactions energy: -222.289 where: short stacking energy: -86.487 Base-Backbone interact. energy: -0.237 local terms energy: -103.843473 where: bonds (distance) C4'-P energy: -24.029 bonds (distance) P-C4' energy: -23.984 flat angles C4'-P-C4' energy: -16.909 flat angles P-C4'-P energy: -19.957 tors. eta vs tors. theta energy: -18.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -308.917376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.917376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.917376 (E_RNA) where: Base-Base interactions energy: -203.427 where: short stacking energy: -94.312 Base-Backbone interact. energy: -1.234 local terms energy: -104.257168 where: bonds (distance) C4'-P energy: -24.010 bonds (distance) P-C4' energy: -18.233 flat angles C4'-P-C4' energy: -20.956 flat angles P-C4'-P energy: -17.914 tors. eta vs tors. theta energy: -23.144 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: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -297.209687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.209687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.209687 (E_RNA) where: Base-Base interactions energy: -202.606 where: short stacking energy: -85.381 Base-Backbone interact. energy: -1.117 local terms energy: -93.486868 where: bonds (distance) C4'-P energy: -20.408 bonds (distance) P-C4' energy: -16.285 flat angles C4'-P-C4' energy: -23.539 flat angles P-C4'-P energy: -16.397 tors. eta vs tors. theta energy: -16.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -239.499654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.499654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.499654 (E_RNA) where: Base-Base interactions energy: -144.483 where: short stacking energy: -56.793 Base-Backbone interact. energy: -0.626 local terms energy: -94.390428 where: bonds (distance) C4'-P energy: -28.033 bonds (distance) P-C4' energy: -23.970 flat angles C4'-P-C4' energy: -19.529 flat angles P-C4'-P energy: -13.346 tors. eta vs tors. theta energy: -9.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -262.014373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.014373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.014373 (E_RNA) where: Base-Base interactions energy: -189.606 where: short stacking energy: -75.064 Base-Backbone interact. energy: 0.836 local terms energy: -73.244248 where: bonds (distance) C4'-P energy: -19.922 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -16.084 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: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -189.159395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.159395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.159395 (E_RNA) where: Base-Base interactions energy: -113.941 where: short stacking energy: -68.326 Base-Backbone interact. energy: -0.227 local terms energy: -74.991318 where: bonds (distance) C4'-P energy: -19.372 bonds (distance) P-C4' energy: -20.431 flat angles C4'-P-C4' energy: -21.030 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -123.605929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.605929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.605929 (E_RNA) where: Base-Base interactions energy: -52.105 where: short stacking energy: -29.879 Base-Backbone interact. energy: 0.790 local terms energy: -72.290580 where: bonds (distance) C4'-P energy: -23.746 bonds (distance) P-C4' energy: -20.567 flat angles C4'-P-C4' energy: -21.044 flat angles P-C4'-P energy: -13.716 tors. eta vs tors. theta energy: 6.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -419.567919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.567919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.567919 (E_RNA) where: Base-Base interactions energy: -287.547 where: short stacking energy: -119.936 Base-Backbone interact. energy: 0.309 local terms energy: -132.329562 where: bonds (distance) C4'-P energy: -24.442 bonds (distance) P-C4' energy: -27.096 flat angles C4'-P-C4' energy: -25.490 flat angles P-C4'-P energy: -19.685 tors. eta vs tors. theta energy: -35.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -372.268070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.268070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.268070 (E_RNA) where: Base-Base interactions energy: -246.992 where: short stacking energy: -119.758 Base-Backbone interact. energy: -0.159 local terms energy: -125.117419 where: bonds (distance) C4'-P energy: -23.069 bonds (distance) P-C4' energy: -21.573 flat angles C4'-P-C4' energy: -24.403 flat angles P-C4'-P energy: -19.107 tors. eta vs tors. theta energy: -36.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -358.059944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.059944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.059944 (E_RNA) where: Base-Base interactions energy: -241.996 where: short stacking energy: -110.348 Base-Backbone interact. energy: -0.433 local terms energy: -115.630138 where: bonds (distance) C4'-P energy: -22.502 bonds (distance) P-C4' energy: -23.616 flat angles C4'-P-C4' energy: -26.169 flat angles P-C4'-P energy: -15.295 tors. eta vs tors. theta energy: -28.048 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: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -345.581922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.581922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.581922 (E_RNA) where: Base-Base interactions energy: -234.132 where: short stacking energy: -98.087 Base-Backbone interact. energy: -2.976 local terms energy: -108.473720 where: bonds (distance) C4'-P energy: -22.667 bonds (distance) P-C4' energy: -17.208 flat angles C4'-P-C4' energy: -23.984 flat angles P-C4'-P energy: -18.120 tors. eta vs tors. theta energy: -26.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -327.381735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.381735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.381735 (E_RNA) where: Base-Base interactions energy: -224.090 where: short stacking energy: -89.918 Base-Backbone interact. energy: -0.483 local terms energy: -102.808696 where: bonds (distance) C4'-P energy: -20.949 bonds (distance) P-C4' energy: -25.736 flat angles C4'-P-C4' energy: -22.532 flat angles P-C4'-P energy: -17.775 tors. eta vs tors. theta energy: -15.818 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: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -306.383408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.383408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.383408 (E_RNA) where: Base-Base interactions energy: -213.130 where: short stacking energy: -100.726 Base-Backbone interact. energy: -0.247 local terms energy: -93.006057 where: bonds (distance) C4'-P energy: -8.562 bonds (distance) P-C4' energy: -26.317 flat angles C4'-P-C4' energy: -23.069 flat angles P-C4'-P energy: -14.683 tors. eta vs tors. theta energy: -20.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -242.661464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.661464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.661464 (E_RNA) where: Base-Base interactions energy: -150.100 where: short stacking energy: -67.300 Base-Backbone interact. energy: -1.372 local terms energy: -91.189474 where: bonds (distance) C4'-P energy: -22.981 bonds (distance) P-C4' energy: -22.913 flat angles C4'-P-C4' energy: -23.502 flat angles P-C4'-P energy: -14.011 tors. eta vs tors. theta energy: -7.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -263.634596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.634596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.634596 (E_RNA) where: Base-Base interactions energy: -178.236 where: short stacking energy: -74.652 Base-Backbone interact. energy: 0.754 local terms energy: -86.152701 where: bonds (distance) C4'-P energy: -16.535 bonds (distance) P-C4' energy: -21.145 flat angles C4'-P-C4' energy: -20.563 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -19.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -194.232756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.232756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.232756 (E_RNA) where: Base-Base interactions energy: -112.756 where: short stacking energy: -50.880 Base-Backbone interact. energy: -0.560 local terms energy: -80.916230 where: bonds (distance) C4'-P energy: -16.521 bonds (distance) P-C4' energy: -22.638 flat angles C4'-P-C4' energy: -24.664 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -12.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -181.635602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.635602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.635602 (E_RNA) where: Base-Base interactions energy: -108.446 where: short stacking energy: -53.918 Base-Backbone interact. energy: -1.616 local terms energy: -71.573343 where: bonds (distance) C4'-P energy: -17.219 bonds (distance) P-C4' energy: -22.360 flat angles C4'-P-C4' energy: -15.952 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -398.486189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.486189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.486189 (E_RNA) where: Base-Base interactions energy: -273.215 where: short stacking energy: -118.870 Base-Backbone interact. energy: -0.645 local terms energy: -124.626617 where: bonds (distance) C4'-P energy: -24.455 bonds (distance) P-C4' energy: -22.278 flat angles C4'-P-C4' energy: -26.918 flat angles P-C4'-P energy: -17.041 tors. eta vs tors. theta energy: -33.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -360.265838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.265838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.265838 (E_RNA) where: Base-Base interactions energy: -234.892 where: short stacking energy: -115.676 Base-Backbone interact. energy: -0.003 local terms energy: -125.370799 where: bonds (distance) C4'-P energy: -19.387 bonds (distance) P-C4' energy: -26.776 flat angles C4'-P-C4' energy: -29.283 flat angles P-C4'-P energy: -17.798 tors. eta vs tors. theta energy: -32.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -367.743416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.743416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.743416 (E_RNA) where: Base-Base interactions energy: -254.570 where: short stacking energy: -112.648 Base-Backbone interact. energy: -0.082 local terms energy: -113.090992 where: bonds (distance) C4'-P energy: -21.410 bonds (distance) P-C4' energy: -24.447 flat angles C4'-P-C4' energy: -19.716 flat angles P-C4'-P energy: -16.490 tors. eta vs tors. theta energy: -31.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -348.715943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.715943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.715943 (E_RNA) where: Base-Base interactions energy: -232.289 where: short stacking energy: -102.888 Base-Backbone interact. energy: 0.123 local terms energy: -116.550230 where: bonds (distance) C4'-P energy: -24.157 bonds (distance) P-C4' energy: -23.665 flat angles C4'-P-C4' energy: -26.985 flat angles P-C4'-P energy: -18.825 tors. eta vs tors. theta energy: -22.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -329.938933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.938933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.938933 (E_RNA) where: Base-Base interactions energy: -223.692 where: short stacking energy: -100.369 Base-Backbone interact. energy: -0.596 local terms energy: -105.650788 where: bonds (distance) C4'-P energy: -22.861 bonds (distance) P-C4' energy: -21.297 flat angles C4'-P-C4' energy: -23.395 flat angles P-C4'-P energy: -15.542 tors. eta vs tors. theta energy: -22.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -321.373549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.373549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.373549 (E_RNA) where: Base-Base interactions energy: -221.809 where: short stacking energy: -86.394 Base-Backbone interact. energy: 0.188 local terms energy: -99.752293 where: bonds (distance) C4'-P energy: -21.752 bonds (distance) P-C4' energy: -25.121 flat angles C4'-P-C4' energy: -22.186 flat angles P-C4'-P energy: -14.835 tors. eta vs tors. theta energy: -15.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -246.270664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.270664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.270664 (E_RNA) where: Base-Base interactions energy: -156.105 where: short stacking energy: -72.156 Base-Backbone interact. energy: -0.382 local terms energy: -89.782918 where: bonds (distance) C4'-P energy: -17.151 bonds (distance) P-C4' energy: -26.920 flat angles C4'-P-C4' energy: -23.686 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -11.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -246.680999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.680999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.680999 (E_RNA) where: Base-Base interactions energy: -167.567 where: short stacking energy: -65.885 Base-Backbone interact. energy: -0.142 local terms energy: -78.971911 where: bonds (distance) C4'-P energy: -16.842 bonds (distance) P-C4' energy: -18.773 flat angles C4'-P-C4' energy: -22.677 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -12.006 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: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -188.616430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.616430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.616430 (E_RNA) where: Base-Base interactions energy: -97.731 where: short stacking energy: -58.290 Base-Backbone interact. energy: -0.102 local terms energy: -90.783333 where: bonds (distance) C4'-P energy: -24.013 bonds (distance) P-C4' energy: -15.881 flat angles C4'-P-C4' energy: -24.118 flat angles P-C4'-P energy: -14.318 tors. eta vs tors. theta energy: -12.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -189.998420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.998420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.998420 (E_RNA) where: Base-Base interactions energy: -113.869 where: short stacking energy: -65.547 Base-Backbone interact. energy: -2.096 local terms energy: -74.034191 where: bonds (distance) C4'-P energy: -20.995 bonds (distance) P-C4' energy: -22.114 flat angles C4'-P-C4' energy: -12.492 flat angles P-C4'-P energy: -11.519 tors. eta vs tors. theta energy: -6.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -411.470567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.470567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.470567 (E_RNA) where: Base-Base interactions energy: -280.242 where: short stacking energy: -120.966 Base-Backbone interact. energy: -1.248 local terms energy: -129.980428 where: bonds (distance) C4'-P energy: -24.381 bonds (distance) P-C4' energy: -22.461 flat angles C4'-P-C4' energy: -25.717 flat angles P-C4'-P energy: -20.595 tors. eta vs tors. theta energy: -36.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -380.877312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.877312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.877312 (E_RNA) where: Base-Base interactions energy: -257.813 where: short stacking energy: -113.455 Base-Backbone interact. energy: -0.399 local terms energy: -122.665278 where: bonds (distance) C4'-P energy: -27.213 bonds (distance) P-C4' energy: -23.768 flat angles C4'-P-C4' energy: -21.794 flat angles P-C4'-P energy: -17.155 tors. eta vs tors. theta energy: -32.735 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: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -361.953339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.953339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.953339 (E_RNA) where: Base-Base interactions energy: -236.371 where: short stacking energy: -111.234 Base-Backbone interact. energy: 0.365 local terms energy: -125.947358 where: bonds (distance) C4'-P energy: -20.006 bonds (distance) P-C4' energy: -28.231 flat angles C4'-P-C4' energy: -27.058 flat angles P-C4'-P energy: -16.560 tors. eta vs tors. theta energy: -34.093 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: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -346.052001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.052001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.052001 (E_RNA) where: Base-Base interactions energy: -235.302 where: short stacking energy: -98.541 Base-Backbone interact. energy: -0.155 local terms energy: -110.595593 where: bonds (distance) C4'-P energy: -26.956 bonds (distance) P-C4' energy: -21.549 flat angles C4'-P-C4' energy: -25.011 flat angles P-C4'-P energy: -14.217 tors. eta vs tors. theta energy: -22.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -335.354994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.354994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.354994 (E_RNA) where: Base-Base interactions energy: -226.507 where: short stacking energy: -98.991 Base-Backbone interact. energy: 1.769 local terms energy: -110.616810 where: bonds (distance) C4'-P energy: -24.894 bonds (distance) P-C4' energy: -22.519 flat angles C4'-P-C4' energy: -26.786 flat angles P-C4'-P energy: -16.656 tors. eta vs tors. theta energy: -19.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -309.147321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.147321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.147321 (E_RNA) where: Base-Base interactions energy: -210.769 where: short stacking energy: -83.396 Base-Backbone interact. energy: -1.905 local terms energy: -96.472984 where: bonds (distance) C4'-P energy: -25.097 bonds (distance) P-C4' energy: -23.593 flat angles C4'-P-C4' energy: -19.628 flat angles P-C4'-P energy: -12.274 tors. eta vs tors. theta energy: -15.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -230.532551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.532551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.532551 (E_RNA) where: Base-Base interactions energy: -146.016 where: short stacking energy: -69.298 Base-Backbone interact. energy: -2.025 local terms energy: -82.491262 where: bonds (distance) C4'-P energy: -19.595 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -22.072 flat angles P-C4'-P energy: -15.989 tors. eta vs tors. theta energy: -8.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -192.814712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.814712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.814712 (E_RNA) where: Base-Base interactions energy: -110.666 where: short stacking energy: -50.659 Base-Backbone interact. energy: 0.039 local terms energy: -82.186954 where: bonds (distance) C4'-P energy: -22.381 bonds (distance) P-C4' energy: -24.473 flat angles C4'-P-C4' energy: -24.498 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -3.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -190.314817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.314817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.314817 (E_RNA) where: Base-Base interactions energy: -115.838 where: short stacking energy: -55.545 Base-Backbone interact. energy: -0.164 local terms energy: -74.312773 where: bonds (distance) C4'-P energy: -17.083 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -21.820 flat angles P-C4'-P energy: -12.988 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -174.625908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.625908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.625908 (E_RNA) where: Base-Base interactions energy: -102.835 where: short stacking energy: -60.527 Base-Backbone interact. energy: 1.608 local terms energy: -73.398624 where: bonds (distance) C4'-P energy: -22.211 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -18.997 flat angles P-C4'-P energy: -7.712 tors. eta vs tors. theta energy: -17.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -400.145044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.145044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.145044 (E_RNA) where: Base-Base interactions energy: -277.866 where: short stacking energy: -115.460 Base-Backbone interact. energy: -1.994 local terms energy: -120.284975 where: bonds (distance) C4'-P energy: -24.187 bonds (distance) P-C4' energy: -19.831 flat angles C4'-P-C4' energy: -25.274 flat angles P-C4'-P energy: -17.918 tors. eta vs tors. theta energy: -33.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -375.459484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.459484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.459484 (E_RNA) where: Base-Base interactions energy: -253.769 where: short stacking energy: -113.377 Base-Backbone interact. energy: -0.712 local terms energy: -120.978136 where: bonds (distance) C4'-P energy: -23.347 bonds (distance) P-C4' energy: -23.903 flat angles C4'-P-C4' energy: -26.484 flat angles P-C4'-P energy: -18.329 tors. eta vs tors. theta energy: -28.915 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: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -343.597082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.597082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.597082 (E_RNA) where: Base-Base interactions energy: -224.870 where: short stacking energy: -99.234 Base-Backbone interact. energy: -0.009 local terms energy: -118.718752 where: bonds (distance) C4'-P energy: -19.995 bonds (distance) P-C4' energy: -19.948 flat angles C4'-P-C4' energy: -24.158 flat angles P-C4'-P energy: -19.826 tors. eta vs tors. theta energy: -34.792 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: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -332.359135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.359135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.359135 (E_RNA) where: Base-Base interactions energy: -218.861 where: short stacking energy: -106.983 Base-Backbone interact. energy: -0.644 local terms energy: -112.854648 where: bonds (distance) C4'-P energy: -23.212 bonds (distance) P-C4' energy: -19.132 flat angles C4'-P-C4' energy: -26.040 flat angles P-C4'-P energy: -13.591 tors. eta vs tors. theta energy: -30.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -331.904231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.904231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.904231 (E_RNA) where: Base-Base interactions energy: -220.498 where: short stacking energy: -95.138 Base-Backbone interact. energy: -0.659 local terms energy: -110.746895 where: bonds (distance) C4'-P energy: -16.674 bonds (distance) P-C4' energy: -24.378 flat angles C4'-P-C4' energy: -25.774 flat angles P-C4'-P energy: -20.530 tors. eta vs tors. theta energy: -23.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -307.296829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.296829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.296829 (E_RNA) where: Base-Base interactions energy: -208.989 where: short stacking energy: -90.160 Base-Backbone interact. energy: -1.960 local terms energy: -96.347565 where: bonds (distance) C4'-P energy: -17.520 bonds (distance) P-C4' energy: -26.088 flat angles C4'-P-C4' energy: -23.923 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -19.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -237.604723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.604723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.604723 (E_RNA) where: Base-Base interactions energy: -160.162 where: short stacking energy: -80.973 Base-Backbone interact. energy: 3.733 local terms energy: -81.176556 where: bonds (distance) C4'-P energy: -18.438 bonds (distance) P-C4' energy: -20.378 flat angles C4'-P-C4' energy: -21.884 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -10.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -191.328455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.328455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.328455 (E_RNA) where: Base-Base interactions energy: -110.225 where: short stacking energy: -64.862 Base-Backbone interact. energy: 0.791 local terms energy: -81.895365 where: bonds (distance) C4'-P energy: -14.539 bonds (distance) P-C4' energy: -21.974 flat angles C4'-P-C4' energy: -16.008 flat angles P-C4'-P energy: -16.076 tors. eta vs tors. theta energy: -13.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -178.774085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.774085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.774085 (E_RNA) where: Base-Base interactions energy: -98.224 where: short stacking energy: -46.239 Base-Backbone interact. energy: 0.423 local terms energy: -80.973227 where: bonds (distance) C4'-P energy: -21.126 bonds (distance) P-C4' energy: -22.411 flat angles C4'-P-C4' energy: -16.949 flat angles P-C4'-P energy: -10.807 tors. eta vs tors. theta energy: -9.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -179.548715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.548715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.548715 (E_RNA) where: Base-Base interactions energy: -107.121 where: short stacking energy: -50.155 Base-Backbone interact. energy: -0.471 local terms energy: -71.955739 where: bonds (distance) C4'-P energy: -18.581 bonds (distance) P-C4' energy: -22.888 flat angles C4'-P-C4' energy: -14.471 flat angles P-C4'-P energy: -9.112 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: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -410.156570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.156570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.156570 (E_RNA) where: Base-Base interactions energy: -282.233 where: short stacking energy: -125.244 Base-Backbone interact. energy: -0.020 local terms energy: -127.903912 where: bonds (distance) C4'-P energy: -25.904 bonds (distance) P-C4' energy: -24.277 flat angles C4'-P-C4' energy: -25.073 flat angles P-C4'-P energy: -18.847 tors. eta vs tors. theta energy: -33.802 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: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -360.069876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.069876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.069876 (E_RNA) where: Base-Base interactions energy: -237.579 where: short stacking energy: -119.018 Base-Backbone interact. energy: -0.074 local terms energy: -122.416934 where: bonds (distance) C4'-P energy: -24.648 bonds (distance) P-C4' energy: -22.574 flat angles C4'-P-C4' energy: -24.669 flat angles P-C4'-P energy: -13.417 tors. eta vs tors. theta energy: -37.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -381.155573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.155573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.155573 (E_RNA) where: Base-Base interactions energy: -265.355 where: short stacking energy: -108.554 Base-Backbone interact. energy: -0.173 local terms energy: -115.627258 where: bonds (distance) C4'-P energy: -18.729 bonds (distance) P-C4' energy: -22.273 flat angles C4'-P-C4' energy: -29.419 flat angles P-C4'-P energy: -14.033 tors. eta vs tors. theta energy: -31.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -338.255084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.255084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.255084 (E_RNA) where: Base-Base interactions energy: -224.516 where: short stacking energy: -90.324 Base-Backbone interact. energy: -0.223 local terms energy: -113.515389 where: bonds (distance) C4'-P energy: -21.580 bonds (distance) P-C4' energy: -24.170 flat angles C4'-P-C4' energy: -26.290 flat angles P-C4'-P energy: -18.314 tors. eta vs tors. theta energy: -23.162 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: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -317.728462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.728462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.728462 (E_RNA) where: Base-Base interactions energy: -210.630 where: short stacking energy: -95.752 Base-Backbone interact. energy: -0.700 local terms energy: -106.398899 where: bonds (distance) C4'-P energy: -24.020 bonds (distance) P-C4' energy: -18.775 flat angles C4'-P-C4' energy: -22.464 flat angles P-C4'-P energy: -15.470 tors. eta vs tors. theta energy: -25.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -304.008658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.008658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.008658 (E_RNA) where: Base-Base interactions energy: -199.513 where: short stacking energy: -86.112 Base-Backbone interact. energy: -1.098 local terms energy: -103.398207 where: bonds (distance) C4'-P energy: -15.557 bonds (distance) P-C4' energy: -25.215 flat angles C4'-P-C4' energy: -24.955 flat angles P-C4'-P energy: -20.231 tors. eta vs tors. theta energy: -17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -235.258390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.258390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.258390 (E_RNA) where: Base-Base interactions energy: -134.480 where: short stacking energy: -67.825 Base-Backbone interact. energy: -0.682 local terms energy: -100.096639 where: bonds (distance) C4'-P energy: -22.585 bonds (distance) P-C4' energy: -29.464 flat angles C4'-P-C4' energy: -17.185 flat angles P-C4'-P energy: -17.788 tors. eta vs tors. theta energy: -13.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -246.449057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.449057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.449057 (E_RNA) where: Base-Base interactions energy: -156.980 where: short stacking energy: -85.801 Base-Backbone interact. energy: -0.079 local terms energy: -89.390527 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -20.854 flat angles C4'-P-C4' energy: -26.597 flat angles P-C4'-P energy: -13.487 tors. eta vs tors. theta energy: -15.621 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: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -200.898170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.898170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.898170 (E_RNA) where: Base-Base interactions energy: -116.724 where: short stacking energy: -62.110 Base-Backbone interact. energy: -0.483 local terms energy: -83.690498 where: bonds (distance) C4'-P energy: -15.761 bonds (distance) P-C4' energy: -23.976 flat angles C4'-P-C4' energy: -24.733 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -137.830579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.830579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.830579 (E_RNA) where: Base-Base interactions energy: -60.377 where: short stacking energy: -38.225 Base-Backbone interact. energy: 0.396 local terms energy: -77.849697 where: bonds (distance) C4'-P energy: -20.060 bonds (distance) P-C4' energy: -18.645 flat angles C4'-P-C4' energy: -20.714 flat angles P-C4'-P energy: -14.395 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -413.492023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.492023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.492023 (E_RNA) where: Base-Base interactions energy: -290.393 where: short stacking energy: -114.449 Base-Backbone interact. energy: -0.071 local terms energy: -123.027712 where: bonds (distance) C4'-P energy: -25.714 bonds (distance) P-C4' energy: -24.764 flat angles C4'-P-C4' energy: -23.623 flat angles P-C4'-P energy: -15.901 tors. eta vs tors. theta energy: -33.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -362.158315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.158315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.158315 (E_RNA) where: Base-Base interactions energy: -235.925 where: short stacking energy: -116.050 Base-Backbone interact. energy: -0.006 local terms energy: -126.227333 where: bonds (distance) C4'-P energy: -26.525 bonds (distance) P-C4' energy: -20.870 flat angles C4'-P-C4' energy: -23.852 flat angles P-C4'-P energy: -19.351 tors. eta vs tors. theta energy: -35.629 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: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -362.668357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.668357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.668357 (E_RNA) where: Base-Base interactions energy: -238.508 where: short stacking energy: -100.814 Base-Backbone interact. energy: -0.457 local terms energy: -123.702756 where: bonds (distance) C4'-P energy: -25.938 bonds (distance) P-C4' energy: -26.304 flat angles C4'-P-C4' energy: -26.553 flat angles P-C4'-P energy: -18.790 tors. eta vs tors. theta energy: -26.118 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: 5 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -347.165842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.165842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.165842 (E_RNA) where: Base-Base interactions energy: -240.659 where: short stacking energy: -109.375 Base-Backbone interact. energy: -0.438 local terms energy: -106.068633 where: bonds (distance) C4'-P energy: -20.443 bonds (distance) P-C4' energy: -21.966 flat angles C4'-P-C4' energy: -21.223 flat angles P-C4'-P energy: -12.546 tors. eta vs tors. theta energy: -29.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -319.636712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.636712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.636712 (E_RNA) where: Base-Base interactions energy: -227.275 where: short stacking energy: -81.619 Base-Backbone interact. energy: -1.910 local terms energy: -90.451351 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -24.572 flat angles C4'-P-C4' energy: -22.600 flat angles P-C4'-P energy: -13.211 tors. eta vs tors. theta energy: -14.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -290.111962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.111962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.111962 (E_RNA) where: Base-Base interactions energy: -187.785 where: short stacking energy: -76.306 Base-Backbone interact. energy: -0.098 local terms energy: -102.228503 where: bonds (distance) C4'-P energy: -19.269 bonds (distance) P-C4' energy: -27.071 flat angles C4'-P-C4' energy: -22.637 flat angles P-C4'-P energy: -14.800 tors. eta vs tors. theta energy: -18.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -244.953416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.953416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.953416 (E_RNA) where: Base-Base interactions energy: -148.495 where: short stacking energy: -74.998 Base-Backbone interact. energy: 0.473 local terms energy: -96.931542 where: bonds (distance) C4'-P energy: -21.358 bonds (distance) P-C4' energy: -24.532 flat angles C4'-P-C4' energy: -24.564 flat angles P-C4'-P energy: -16.506 tors. eta vs tors. theta energy: -9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -242.837773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.837773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.837773 (E_RNA) where: Base-Base interactions energy: -147.287 where: short stacking energy: -79.696 Base-Backbone interact. energy: -0.272 local terms energy: -95.278050 where: bonds (distance) C4'-P energy: -22.211 bonds (distance) P-C4' energy: -16.066 flat angles C4'-P-C4' energy: -19.701 flat angles P-C4'-P energy: -16.229 tors. eta vs tors. theta energy: -21.071 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: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -198.568340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.568340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.568340 (E_RNA) where: Base-Base interactions energy: -110.492 where: short stacking energy: -61.370 Base-Backbone interact. energy: -0.977 local terms energy: -87.099071 where: bonds (distance) C4'-P energy: -17.369 bonds (distance) P-C4' energy: -18.719 flat angles C4'-P-C4' energy: -23.668 flat angles P-C4'-P energy: -19.697 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: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -114.718401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.718401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.718401 (E_RNA) where: Base-Base interactions energy: -42.711 where: short stacking energy: -42.041 Base-Backbone interact. energy: -0.792 local terms energy: -71.215036 where: bonds (distance) C4'-P energy: -20.274 bonds (distance) P-C4' energy: -21.294 flat angles C4'-P-C4' energy: -19.498 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -407.380099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.380099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.380099 (E_RNA) where: Base-Base interactions energy: -286.675 where: short stacking energy: -119.068 Base-Backbone interact. energy: -0.437 local terms energy: -120.267727 where: bonds (distance) C4'-P energy: -22.487 bonds (distance) P-C4' energy: -28.547 flat angles C4'-P-C4' energy: -21.713 flat angles P-C4'-P energy: -15.136 tors. eta vs tors. theta energy: -32.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -372.409960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.409960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.409960 (E_RNA) where: Base-Base interactions energy: -248.363 where: short stacking energy: -108.318 Base-Backbone interact. energy: -0.613 local terms energy: -123.434615 where: bonds (distance) C4'-P energy: -25.862 bonds (distance) P-C4' energy: -20.950 flat angles C4'-P-C4' energy: -25.465 flat angles P-C4'-P energy: -18.437 tors. eta vs tors. theta energy: -32.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -355.444407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.444407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.444407 (E_RNA) where: Base-Base interactions energy: -237.145 where: short stacking energy: -120.485 Base-Backbone interact. energy: -0.899 local terms energy: -117.400502 where: bonds (distance) C4'-P energy: -20.503 bonds (distance) P-C4' energy: -18.518 flat angles C4'-P-C4' energy: -25.989 flat angles P-C4'-P energy: -16.259 tors. eta vs tors. theta energy: -36.131 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: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -332.093852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.093852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.093852 (E_RNA) where: Base-Base interactions energy: -218.353 where: short stacking energy: -100.454 Base-Backbone interact. energy: -0.007 local terms energy: -113.733638 where: bonds (distance) C4'-P energy: -22.729 bonds (distance) P-C4' energy: -23.191 flat angles C4'-P-C4' energy: -23.731 flat angles P-C4'-P energy: -19.311 tors. eta vs tors. theta energy: -24.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -316.640585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.640585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.640585 (E_RNA) where: Base-Base interactions energy: -218.007 where: short stacking energy: -88.165 Base-Backbone interact. energy: -0.370 local terms energy: -98.262969 where: bonds (distance) C4'-P energy: -16.483 bonds (distance) P-C4' energy: -21.363 flat angles C4'-P-C4' energy: -25.839 flat angles P-C4'-P energy: -15.573 tors. eta vs tors. theta energy: -19.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -314.205974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.205974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.205974 (E_RNA) where: Base-Base interactions energy: -201.514 where: short stacking energy: -94.918 Base-Backbone interact. energy: -0.371 local terms energy: -112.320612 where: bonds (distance) C4'-P energy: -18.380 bonds (distance) P-C4' energy: -23.665 flat angles C4'-P-C4' energy: -23.524 flat angles P-C4'-P energy: -18.511 tors. eta vs tors. theta energy: -28.240 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: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -263.028113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.028113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.028113 (E_RNA) where: Base-Base interactions energy: -175.618 where: short stacking energy: -74.958 Base-Backbone interact. energy: -0.823 local terms energy: -86.587587 where: bonds (distance) C4'-P energy: -15.050 bonds (distance) P-C4' energy: -20.728 flat angles C4'-P-C4' energy: -23.426 flat angles P-C4'-P energy: -16.520 tors. eta vs tors. theta energy: -10.864 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: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -255.838111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.838111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.838111 (E_RNA) where: Base-Base interactions energy: -157.238 where: short stacking energy: -75.791 Base-Backbone interact. energy: 4.334 local terms energy: -102.934533 where: bonds (distance) C4'-P energy: -20.234 bonds (distance) P-C4' energy: -25.132 flat angles C4'-P-C4' energy: -21.444 flat angles P-C4'-P energy: -15.987 tors. eta vs tors. theta energy: -20.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -239.931560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.931560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.931560 (E_RNA) where: Base-Base interactions energy: -164.848 where: short stacking energy: -63.837 Base-Backbone interact. energy: 0.152 local terms energy: -75.235482 where: bonds (distance) C4'-P energy: -24.569 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -16.452 flat angles P-C4'-P energy: -12.933 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: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -113.177604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.177604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.177604 (E_RNA) where: Base-Base interactions energy: -37.706 where: short stacking energy: -36.625 Base-Backbone interact. energy: 1.345 local terms energy: -76.816010 where: bonds (distance) C4'-P energy: -22.418 bonds (distance) P-C4' energy: -20.478 flat angles C4'-P-C4' energy: -21.807 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -411.431373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.431373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.431373 (E_RNA) where: Base-Base interactions energy: -285.269 where: short stacking energy: -115.943 Base-Backbone interact. energy: -0.349 local terms energy: -125.813534 where: bonds (distance) C4'-P energy: -25.531 bonds (distance) P-C4' energy: -27.742 flat angles C4'-P-C4' energy: -27.631 flat angles P-C4'-P energy: -15.925 tors. eta vs tors. theta energy: -28.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -379.349203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.349203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.349203 (E_RNA) where: Base-Base interactions energy: -263.693 where: short stacking energy: -109.708 Base-Backbone interact. energy: -0.342 local terms energy: -115.314167 where: bonds (distance) C4'-P energy: -21.668 bonds (distance) P-C4' energy: -23.690 flat angles C4'-P-C4' energy: -20.714 flat angles P-C4'-P energy: -17.136 tors. eta vs tors. theta energy: -32.107 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: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -339.420311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.420311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.420311 (E_RNA) where: Base-Base interactions energy: -225.474 where: short stacking energy: -109.796 Base-Backbone interact. energy: -0.315 local terms energy: -113.631181 where: bonds (distance) C4'-P energy: -17.426 bonds (distance) P-C4' energy: -23.086 flat angles C4'-P-C4' energy: -28.675 flat angles P-C4'-P energy: -14.540 tors. eta vs tors. theta energy: -29.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -335.955871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.955871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.955871 (E_RNA) where: Base-Base interactions energy: -223.045 where: short stacking energy: -102.094 Base-Backbone interact. energy: -1.814 local terms energy: -111.097630 where: bonds (distance) C4'-P energy: -24.774 bonds (distance) P-C4' energy: -20.644 flat angles C4'-P-C4' energy: -22.656 flat angles P-C4'-P energy: -14.698 tors. eta vs tors. theta energy: -28.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -310.996486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.996486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.996486 (E_RNA) where: Base-Base interactions energy: -217.892 where: short stacking energy: -74.644 Base-Backbone interact. energy: -1.419 local terms energy: -91.685412 where: bonds (distance) C4'-P energy: -19.996 bonds (distance) P-C4' energy: -24.027 flat angles C4'-P-C4' energy: -16.488 flat angles P-C4'-P energy: -18.290 tors. eta vs tors. theta energy: -12.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -338.068603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.068603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.068603 (E_RNA) where: Base-Base interactions energy: -228.229 where: short stacking energy: -112.301 Base-Backbone interact. energy: -0.137 local terms energy: -109.702798 where: bonds (distance) C4'-P energy: -20.942 bonds (distance) P-C4' energy: -20.027 flat angles C4'-P-C4' energy: -26.381 flat angles P-C4'-P energy: -14.277 tors. eta vs tors. theta energy: -28.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -253.980917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.980917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.980917 (E_RNA) where: Base-Base interactions energy: -167.034 where: short stacking energy: -82.138 Base-Backbone interact. energy: -0.264 local terms energy: -86.683108 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -20.005 flat angles C4'-P-C4' energy: -25.701 flat angles P-C4'-P energy: -11.198 tors. eta vs tors. theta energy: -15.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -216.693860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.693860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.693860 (E_RNA) where: Base-Base interactions energy: -119.068 where: short stacking energy: -77.532 Base-Backbone interact. energy: -0.037 local terms energy: -97.588454 where: bonds (distance) C4'-P energy: -24.435 bonds (distance) P-C4' energy: -19.577 flat angles C4'-P-C4' energy: -20.809 flat angles P-C4'-P energy: -16.641 tors. eta vs tors. theta energy: -16.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -243.910662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.910662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.910662 (E_RNA) where: Base-Base interactions energy: -159.073 where: short stacking energy: -76.835 Base-Backbone interact. energy: -0.127 local terms energy: -84.711381 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -17.944 flat angles C4'-P-C4' energy: -15.855 flat angles P-C4'-P energy: -18.942 tors. eta vs tors. theta energy: -16.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -122.291545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.291545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.291545 (E_RNA) where: Base-Base interactions energy: -52.502 where: short stacking energy: -41.080 Base-Backbone interact. energy: 1.909 local terms energy: -71.698790 where: bonds (distance) C4'-P energy: -18.401 bonds (distance) P-C4' energy: -22.582 flat angles C4'-P-C4' energy: -20.428 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -409.183948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.183948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.183948 (E_RNA) where: Base-Base interactions energy: -284.066 where: short stacking energy: -116.226 Base-Backbone interact. energy: -1.556 local terms energy: -123.562656 where: bonds (distance) C4'-P energy: -25.433 bonds (distance) P-C4' energy: -27.031 flat angles C4'-P-C4' energy: -23.614 flat angles P-C4'-P energy: -18.062 tors. eta vs tors. theta energy: -29.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -400.253968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.253968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.253968 (E_RNA) where: Base-Base interactions energy: -272.017 where: short stacking energy: -126.119 Base-Backbone interact. energy: -0.740 local terms energy: -127.497457 where: bonds (distance) C4'-P energy: -22.530 bonds (distance) P-C4' energy: -23.065 flat angles C4'-P-C4' energy: -27.033 flat angles P-C4'-P energy: -17.604 tors. eta vs tors. theta energy: -37.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -343.912947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.912947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.912947 (E_RNA) where: Base-Base interactions energy: -226.402 where: short stacking energy: -115.493 Base-Backbone interact. energy: -0.131 local terms energy: -117.379776 where: bonds (distance) C4'-P energy: -16.958 bonds (distance) P-C4' energy: -19.900 flat angles C4'-P-C4' energy: -29.491 flat angles P-C4'-P energy: -18.419 tors. eta vs tors. theta energy: -32.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -332.331703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.331703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.331703 (E_RNA) where: Base-Base interactions energy: -243.710 where: short stacking energy: -110.748 Base-Backbone interact. energy: -0.064 local terms energy: -88.557667 where: bonds (distance) C4'-P energy: -17.567 bonds (distance) P-C4' energy: -18.523 flat angles C4'-P-C4' energy: -19.692 flat angles P-C4'-P energy: -13.166 tors. eta vs tors. theta energy: -19.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -300.835428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.835428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.835428 (E_RNA) where: Base-Base interactions energy: -205.025 where: short stacking energy: -73.848 Base-Backbone interact. energy: -0.481 local terms energy: -95.329058 where: bonds (distance) C4'-P energy: -20.958 bonds (distance) P-C4' energy: -26.190 flat angles C4'-P-C4' energy: -21.054 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -17.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -309.906483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.906483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.906483 (E_RNA) where: Base-Base interactions energy: -215.830 where: short stacking energy: -96.931 Base-Backbone interact. energy: -0.915 local terms energy: -93.161155 where: bonds (distance) C4'-P energy: -16.336 bonds (distance) P-C4' energy: -19.064 flat angles C4'-P-C4' energy: -21.836 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -28.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -247.649195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.649195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.649195 (E_RNA) where: Base-Base interactions energy: -168.184 where: short stacking energy: -81.099 Base-Backbone interact. energy: 0.131 local terms energy: -79.595685 where: bonds (distance) C4'-P energy: -11.353 bonds (distance) P-C4' energy: -20.547 flat angles C4'-P-C4' energy: -18.216 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -19.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -266.398721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.398721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.398721 (E_RNA) where: Base-Base interactions energy: -174.042 where: short stacking energy: -71.509 Base-Backbone interact. energy: -0.223 local terms energy: -92.133723 where: bonds (distance) C4'-P energy: -20.455 bonds (distance) P-C4' energy: -22.723 flat angles C4'-P-C4' energy: -22.881 flat angles P-C4'-P energy: -12.079 tors. eta vs tors. theta energy: -13.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -223.784965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.784965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.784965 (E_RNA) where: Base-Base interactions energy: -135.984 where: short stacking energy: -77.251 Base-Backbone interact. energy: 0.397 local terms energy: -88.197988 where: bonds (distance) C4'-P energy: -23.901 bonds (distance) P-C4' energy: -20.361 flat angles C4'-P-C4' energy: -21.229 flat angles P-C4'-P energy: -11.671 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: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -113.002743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.002743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.002743 (E_RNA) where: Base-Base interactions energy: -40.313 where: short stacking energy: -32.222 Base-Backbone interact. energy: -1.112 local terms energy: -71.578106 where: bonds (distance) C4'-P energy: -16.237 bonds (distance) P-C4' energy: -24.272 flat angles C4'-P-C4' energy: -20.596 flat angles P-C4'-P energy: -10.769 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -404.948241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.948241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.948241 (E_RNA) where: Base-Base interactions energy: -280.180 where: short stacking energy: -113.874 Base-Backbone interact. energy: -0.410 local terms energy: -124.358299 where: bonds (distance) C4'-P energy: -22.046 bonds (distance) P-C4' energy: -22.082 flat angles C4'-P-C4' energy: -28.065 flat angles P-C4'-P energy: -17.851 tors. eta vs tors. theta energy: -34.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -393.687869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.687869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.687869 (E_RNA) where: Base-Base interactions energy: -267.272 where: short stacking energy: -111.944 Base-Backbone interact. energy: -1.061 local terms energy: -125.354996 where: bonds (distance) C4'-P energy: -24.564 bonds (distance) P-C4' energy: -22.433 flat angles C4'-P-C4' energy: -26.314 flat angles P-C4'-P energy: -18.606 tors. eta vs tors. theta energy: -33.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -366.802941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.802941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.802941 (E_RNA) where: Base-Base interactions energy: -250.246 where: short stacking energy: -125.444 Base-Backbone interact. energy: -0.790 local terms energy: -115.767799 where: bonds (distance) C4'-P energy: -21.499 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -24.681 flat angles P-C4'-P energy: -14.767 tors. eta vs tors. theta energy: -37.817 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: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -326.968827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.968827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.968827 (E_RNA) where: Base-Base interactions energy: -225.019 where: short stacking energy: -106.687 Base-Backbone interact. energy: 1.736 local terms energy: -103.686555 where: bonds (distance) C4'-P energy: -17.080 bonds (distance) P-C4' energy: -21.058 flat angles C4'-P-C4' energy: -22.844 flat angles P-C4'-P energy: -19.641 tors. eta vs tors. theta energy: -23.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -309.435511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.435511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.435511 (E_RNA) where: Base-Base interactions energy: -208.084 where: short stacking energy: -90.409 Base-Backbone interact. energy: -0.877 local terms energy: -100.474565 where: bonds (distance) C4'-P energy: -26.463 bonds (distance) P-C4' energy: -16.495 flat angles C4'-P-C4' energy: -22.512 flat angles P-C4'-P energy: -19.619 tors. eta vs tors. theta energy: -15.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -323.888266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.888266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.888266 (E_RNA) where: Base-Base interactions energy: -215.020 where: short stacking energy: -90.915 Base-Backbone interact. energy: -0.514 local terms energy: -108.354438 where: bonds (distance) C4'-P energy: -22.758 bonds (distance) P-C4' energy: -22.865 flat angles C4'-P-C4' energy: -23.958 flat angles P-C4'-P energy: -14.956 tors. eta vs tors. theta energy: -23.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -281.827540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.827540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.827540 (E_RNA) where: Base-Base interactions energy: -177.493 where: short stacking energy: -75.266 Base-Backbone interact. energy: -0.266 local terms energy: -104.069045 where: bonds (distance) C4'-P energy: -23.798 bonds (distance) P-C4' energy: -20.285 flat angles C4'-P-C4' energy: -22.694 flat angles P-C4'-P energy: -19.552 tors. eta vs tors. theta energy: -17.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -238.182499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.182499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.182499 (E_RNA) where: Base-Base interactions energy: -161.633 where: short stacking energy: -68.751 Base-Backbone interact. energy: -0.181 local terms energy: -76.368691 where: bonds (distance) C4'-P energy: -17.993 bonds (distance) P-C4' energy: -20.365 flat angles C4'-P-C4' energy: -19.207 flat angles P-C4'-P energy: -15.901 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -240.258017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.258017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.258017 (E_RNA) where: Base-Base interactions energy: -143.140 where: short stacking energy: -77.113 Base-Backbone interact. energy: -0.057 local terms energy: -97.060805 where: bonds (distance) C4'-P energy: -21.491 bonds (distance) P-C4' energy: -20.556 flat angles C4'-P-C4' energy: -25.691 flat angles P-C4'-P energy: -12.868 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -117.094745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.094745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.094745 (E_RNA) where: Base-Base interactions energy: -45.738 where: short stacking energy: -39.132 Base-Backbone interact. energy: -0.607 local terms energy: -70.749169 where: bonds (distance) C4'-P energy: -23.737 bonds (distance) P-C4' energy: -17.923 flat angles C4'-P-C4' energy: -16.295 flat angles P-C4'-P energy: -14.964 tors. eta vs tors. theta energy: 2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -391.873328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.873328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.873328 (E_RNA) where: Base-Base interactions energy: -264.713 where: short stacking energy: -124.524 Base-Backbone interact. energy: -0.133 local terms energy: -127.027580 where: bonds (distance) C4'-P energy: -23.913 bonds (distance) P-C4' energy: -23.940 flat angles C4'-P-C4' energy: -25.631 flat angles P-C4'-P energy: -16.274 tors. eta vs tors. theta energy: -37.269 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: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -396.313223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.313223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.313223 (E_RNA) where: Base-Base interactions energy: -278.407 where: short stacking energy: -111.025 Base-Backbone interact. energy: -0.910 local terms energy: -116.996320 where: bonds (distance) C4'-P energy: -16.104 bonds (distance) P-C4' energy: -24.953 flat angles C4'-P-C4' energy: -29.557 flat angles P-C4'-P energy: -15.667 tors. eta vs tors. theta energy: -30.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -358.980739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.980739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.980739 (E_RNA) where: Base-Base interactions energy: -238.403 where: short stacking energy: -121.571 Base-Backbone interact. energy: -0.082 local terms energy: -120.495280 where: bonds (distance) C4'-P energy: -21.645 bonds (distance) P-C4' energy: -22.851 flat angles C4'-P-C4' energy: -25.601 flat angles P-C4'-P energy: -15.690 tors. eta vs tors. theta energy: -34.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -341.752329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.752329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.752329 (E_RNA) where: Base-Base interactions energy: -231.044 where: short stacking energy: -106.036 Base-Backbone interact. energy: -0.035 local terms energy: -110.673872 where: bonds (distance) C4'-P energy: -20.914 bonds (distance) P-C4' energy: -23.839 flat angles C4'-P-C4' energy: -25.999 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -30.536 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: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -315.157873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.157873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.157873 (E_RNA) where: Base-Base interactions energy: -220.015 where: short stacking energy: -91.581 Base-Backbone interact. energy: 1.249 local terms energy: -96.392328 where: bonds (distance) C4'-P energy: -20.809 bonds (distance) P-C4' energy: -23.930 flat angles C4'-P-C4' energy: -23.102 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -18.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -368.609591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.609591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.609591 (E_RNA) where: Base-Base interactions energy: -256.669 where: short stacking energy: -111.746 Base-Backbone interact. energy: -0.496 local terms energy: -111.444148 where: bonds (distance) C4'-P energy: -22.016 bonds (distance) P-C4' energy: -21.677 flat angles C4'-P-C4' energy: -25.594 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -36.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -273.069555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.069555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.069555 (E_RNA) where: Base-Base interactions energy: -171.406 where: short stacking energy: -71.045 Base-Backbone interact. energy: 0.759 local terms energy: -102.422889 where: bonds (distance) C4'-P energy: -21.635 bonds (distance) P-C4' energy: -24.762 flat angles C4'-P-C4' energy: -23.615 flat angles P-C4'-P energy: -17.351 tors. eta vs tors. theta energy: -15.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -233.671804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.671804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.671804 (E_RNA) where: Base-Base interactions energy: -151.055 where: short stacking energy: -68.986 Base-Backbone interact. energy: -0.360 local terms energy: -82.256206 where: bonds (distance) C4'-P energy: -20.575 bonds (distance) P-C4' energy: -20.616 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -15.350 tors. eta vs tors. theta energy: -9.947 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: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -199.559010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.559010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.559010 (E_RNA) where: Base-Base interactions energy: -118.855 where: short stacking energy: -61.625 Base-Backbone interact. energy: 1.095 local terms energy: -81.799478 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -23.358 flat angles C4'-P-C4' energy: -20.780 flat angles P-C4'-P energy: -15.291 tors. eta vs tors. theta energy: -7.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -120.136375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.136375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.136375 (E_RNA) where: Base-Base interactions energy: -44.208 where: short stacking energy: -37.932 Base-Backbone interact. energy: -0.818 local terms energy: -75.109667 where: bonds (distance) C4'-P energy: -15.457 bonds (distance) P-C4' energy: -23.503 flat angles C4'-P-C4' energy: -21.542 flat angles P-C4'-P energy: -10.150 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -409.566189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.566189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.566189 (E_RNA) where: Base-Base interactions energy: -296.588 where: short stacking energy: -109.552 Base-Backbone interact. energy: -0.189 local terms energy: -112.789613 where: bonds (distance) C4'-P energy: -15.602 bonds (distance) P-C4' energy: -28.008 flat angles C4'-P-C4' energy: -26.036 flat angles P-C4'-P energy: -12.800 tors. eta vs tors. theta energy: -30.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -395.772521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.772521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.772521 (E_RNA) where: Base-Base interactions energy: -262.028 where: short stacking energy: -117.354 Base-Backbone interact. energy: -0.845 local terms energy: -132.899621 where: bonds (distance) C4'-P energy: -25.631 bonds (distance) P-C4' energy: -28.471 flat angles C4'-P-C4' energy: -27.766 flat angles P-C4'-P energy: -16.483 tors. eta vs tors. theta energy: -34.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -347.846090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.846090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.846090 (E_RNA) where: Base-Base interactions energy: -225.400 where: short stacking energy: -103.551 Base-Backbone interact. energy: -1.648 local terms energy: -120.797878 where: bonds (distance) C4'-P energy: -23.117 bonds (distance) P-C4' energy: -25.402 flat angles C4'-P-C4' energy: -26.837 flat angles P-C4'-P energy: -16.784 tors. eta vs tors. theta energy: -28.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -352.946564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.946564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.946564 (E_RNA) where: Base-Base interactions energy: -227.801 where: short stacking energy: -117.500 Base-Backbone interact. energy: -0.196 local terms energy: -124.949708 where: bonds (distance) C4'-P energy: -20.720 bonds (distance) P-C4' energy: -23.007 flat angles C4'-P-C4' energy: -24.608 flat angles P-C4'-P energy: -21.563 tors. eta vs tors. theta energy: -35.052 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: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -348.265684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.265684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.265684 (E_RNA) where: Base-Base interactions energy: -222.187 where: short stacking energy: -97.698 Base-Backbone interact. energy: -0.081 local terms energy: -125.997546 where: bonds (distance) C4'-P energy: -27.748 bonds (distance) P-C4' energy: -26.314 flat angles C4'-P-C4' energy: -21.783 flat angles P-C4'-P energy: -20.952 tors. eta vs tors. theta energy: -29.200 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: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -315.422347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.422347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.422347 (E_RNA) where: Base-Base interactions energy: -211.819 where: short stacking energy: -90.375 Base-Backbone interact. energy: -0.387 local terms energy: -103.215795 where: bonds (distance) C4'-P energy: -20.877 bonds (distance) P-C4' energy: -24.266 flat angles C4'-P-C4' energy: -21.213 flat angles P-C4'-P energy: -13.597 tors. eta vs tors. theta energy: -23.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -304.973262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.973262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.973262 (E_RNA) where: Base-Base interactions energy: -216.016 where: short stacking energy: -88.753 Base-Backbone interact. energy: -1.027 local terms energy: -87.930154 where: bonds (distance) C4'-P energy: -19.322 bonds (distance) P-C4' energy: -23.482 flat angles C4'-P-C4' energy: -17.575 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -22.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -224.922137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.922137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.922137 (E_RNA) where: Base-Base interactions energy: -144.917 where: short stacking energy: -56.330 Base-Backbone interact. energy: -0.294 local terms energy: -79.711411 where: bonds (distance) C4'-P energy: -23.615 bonds (distance) P-C4' energy: -18.908 flat angles C4'-P-C4' energy: -19.469 flat angles P-C4'-P energy: -13.223 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -183.721467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.721467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.721467 (E_RNA) where: Base-Base interactions energy: -108.578 where: short stacking energy: -50.286 Base-Backbone interact. energy: 1.685 local terms energy: -76.828158 where: bonds (distance) C4'-P energy: -25.377 bonds (distance) P-C4' energy: -22.269 flat angles C4'-P-C4' energy: -19.113 flat angles P-C4'-P energy: -8.972 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -112.657151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.657151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.657151 (E_RNA) where: Base-Base interactions energy: -34.512 where: short stacking energy: -34.512 Base-Backbone interact. energy: -0.403 local terms energy: -77.742522 where: bonds (distance) C4'-P energy: -21.504 bonds (distance) P-C4' energy: -23.699 flat angles C4'-P-C4' energy: -21.287 flat angles P-C4'-P energy: -15.425 tors. eta vs tors. theta energy: 4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -411.370506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.370506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.370506 (E_RNA) where: Base-Base interactions energy: -298.128 where: short stacking energy: -122.746 Base-Backbone interact. energy: -0.139 local terms energy: -113.103589 where: bonds (distance) C4'-P energy: -15.417 bonds (distance) P-C4' energy: -23.169 flat angles C4'-P-C4' energy: -26.520 flat angles P-C4'-P energy: -17.102 tors. eta vs tors. theta energy: -30.896 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: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -407.822017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.822017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.822017 (E_RNA) where: Base-Base interactions energy: -286.846 where: short stacking energy: -114.360 Base-Backbone interact. energy: -0.291 local terms energy: -120.684114 where: bonds (distance) C4'-P energy: -21.802 bonds (distance) P-C4' energy: -22.685 flat angles C4'-P-C4' energy: -24.029 flat angles P-C4'-P energy: -15.227 tors. eta vs tors. theta energy: -36.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -346.033910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.033910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.033910 (E_RNA) where: Base-Base interactions energy: -228.762 where: short stacking energy: -105.646 Base-Backbone interact. energy: -0.465 local terms energy: -116.806469 where: bonds (distance) C4'-P energy: -27.014 bonds (distance) P-C4' energy: -18.421 flat angles C4'-P-C4' energy: -28.142 flat angles P-C4'-P energy: -15.264 tors. eta vs tors. theta energy: -27.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -331.536829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.536829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.536829 (E_RNA) where: Base-Base interactions energy: -214.275 where: short stacking energy: -102.436 Base-Backbone interact. energy: -1.602 local terms energy: -115.659191 where: bonds (distance) C4'-P energy: -20.882 bonds (distance) P-C4' energy: -21.856 flat angles C4'-P-C4' energy: -24.306 flat angles P-C4'-P energy: -18.294 tors. eta vs tors. theta energy: -30.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -349.618450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.618450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.618450 (E_RNA) where: Base-Base interactions energy: -239.677 where: short stacking energy: -100.990 Base-Backbone interact. energy: -0.349 local terms energy: -109.591954 where: bonds (distance) C4'-P energy: -24.826 bonds (distance) P-C4' energy: -19.679 flat angles C4'-P-C4' energy: -20.443 flat angles P-C4'-P energy: -15.348 tors. eta vs tors. theta energy: -29.296 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: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -308.820746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.820746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.820746 (E_RNA) where: Base-Base interactions energy: -203.719 where: short stacking energy: -90.853 Base-Backbone interact. energy: -0.337 local terms energy: -104.765098 where: bonds (distance) C4'-P energy: -16.896 bonds (distance) P-C4' energy: -25.476 flat angles C4'-P-C4' energy: -25.337 flat angles P-C4'-P energy: -12.604 tors. eta vs tors. theta energy: -24.452 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: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -305.513509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.513509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.513509 (E_RNA) where: Base-Base interactions energy: -213.053 where: short stacking energy: -95.864 Base-Backbone interact. energy: -1.725 local terms energy: -90.735074 where: bonds (distance) C4'-P energy: -16.573 bonds (distance) P-C4' energy: -21.530 flat angles C4'-P-C4' energy: -21.677 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -24.900 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: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -243.676034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.676034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.676034 (E_RNA) where: Base-Base interactions energy: -149.485 where: short stacking energy: -73.500 Base-Backbone interact. energy: -0.406 local terms energy: -93.784558 where: bonds (distance) C4'-P energy: -22.240 bonds (distance) P-C4' energy: -19.865 flat angles C4'-P-C4' energy: -18.964 flat angles P-C4'-P energy: -16.577 tors. eta vs tors. theta energy: -16.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -191.624029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.624029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.624029 (E_RNA) where: Base-Base interactions energy: -104.988 where: short stacking energy: -54.798 Base-Backbone interact. energy: -0.088 local terms energy: -86.547399 where: bonds (distance) C4'-P energy: -18.477 bonds (distance) P-C4' energy: -24.242 flat angles C4'-P-C4' energy: -17.658 flat angles P-C4'-P energy: -17.473 tors. eta vs tors. theta energy: -8.699 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: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -120.681446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.681446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.681446 (E_RNA) where: Base-Base interactions energy: -51.251 where: short stacking energy: -31.835 Base-Backbone interact. energy: 1.472 local terms energy: -70.902420 where: bonds (distance) C4'-P energy: -19.302 bonds (distance) P-C4' energy: -23.175 flat angles C4'-P-C4' energy: -19.550 flat angles P-C4'-P energy: -8.027 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: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -414.198063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.198063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.198063 (E_RNA) where: Base-Base interactions energy: -292.470 where: short stacking energy: -118.354 Base-Backbone interact. energy: -0.549 local terms energy: -121.179625 where: bonds (distance) C4'-P energy: -25.910 bonds (distance) P-C4' energy: -24.049 flat angles C4'-P-C4' energy: -23.065 flat angles P-C4'-P energy: -18.697 tors. eta vs tors. theta energy: -29.460 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: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -391.116300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.116300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.116300 (E_RNA) where: Base-Base interactions energy: -276.242 where: short stacking energy: -123.345 Base-Backbone interact. energy: -0.108 local terms energy: -114.766552 where: bonds (distance) C4'-P energy: -21.566 bonds (distance) P-C4' energy: -20.050 flat angles C4'-P-C4' energy: -22.715 flat angles P-C4'-P energy: -13.599 tors. eta vs tors. theta energy: -36.837 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: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -345.014630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.014630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.014630 (E_RNA) where: Base-Base interactions energy: -222.818 where: short stacking energy: -103.050 Base-Backbone interact. energy: -0.219 local terms energy: -121.977449 where: bonds (distance) C4'-P energy: -29.112 bonds (distance) P-C4' energy: -20.941 flat angles C4'-P-C4' energy: -29.415 flat angles P-C4'-P energy: -15.488 tors. eta vs tors. theta energy: -27.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -347.631549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.631549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.631549 (E_RNA) where: Base-Base interactions energy: -228.467 where: short stacking energy: -107.041 Base-Backbone interact. energy: 0.842 local terms energy: -120.006219 where: bonds (distance) C4'-P energy: -26.194 bonds (distance) P-C4' energy: -24.690 flat angles C4'-P-C4' energy: -20.257 flat angles P-C4'-P energy: -20.831 tors. eta vs tors. theta energy: -28.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -338.178135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.178135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.178135 (E_RNA) where: Base-Base interactions energy: -226.364 where: short stacking energy: -111.879 Base-Backbone interact. energy: -1.008 local terms energy: -110.806493 where: bonds (distance) C4'-P energy: -21.215 bonds (distance) P-C4' energy: -20.052 flat angles C4'-P-C4' energy: -20.034 flat angles P-C4'-P energy: -17.394 tors. eta vs tors. theta energy: -32.112 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: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -270.457137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.457137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.457137 (E_RNA) where: Base-Base interactions energy: -167.374 where: short stacking energy: -72.675 Base-Backbone interact. energy: -0.932 local terms energy: -102.150810 where: bonds (distance) C4'-P energy: -26.175 bonds (distance) P-C4' energy: -22.268 flat angles C4'-P-C4' energy: -21.609 flat angles P-C4'-P energy: -16.244 tors. eta vs tors. theta energy: -15.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -275.265217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.265217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.265217 (E_RNA) where: Base-Base interactions energy: -188.381 where: short stacking energy: -70.348 Base-Backbone interact. energy: -1.309 local terms energy: -85.575023 where: bonds (distance) C4'-P energy: -17.868 bonds (distance) P-C4' energy: -23.178 flat angles C4'-P-C4' energy: -16.899 flat angles P-C4'-P energy: -11.351 tors. eta vs tors. theta energy: -16.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -242.002329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.002329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.002329 (E_RNA) where: Base-Base interactions energy: -156.700 where: short stacking energy: -77.875 Base-Backbone interact. energy: -0.634 local terms energy: -84.668222 where: bonds (distance) C4'-P energy: -18.914 bonds (distance) P-C4' energy: -23.080 flat angles C4'-P-C4' energy: -17.866 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -13.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -188.043615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.043615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.043615 (E_RNA) where: Base-Base interactions energy: -101.023 where: short stacking energy: -61.323 Base-Backbone interact. energy: -0.144 local terms energy: -86.877337 where: bonds (distance) C4'-P energy: -24.849 bonds (distance) P-C4' energy: -18.321 flat angles C4'-P-C4' energy: -24.958 flat angles P-C4'-P energy: -13.016 tors. eta vs tors. theta energy: -5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -108.592014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.592014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.592014 (E_RNA) where: Base-Base interactions energy: -36.364 where: short stacking energy: -29.528 Base-Backbone interact. energy: -0.542 local terms energy: -71.686049 where: bonds (distance) C4'-P energy: -27.778 bonds (distance) P-C4' energy: -21.997 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: 1.073 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: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -404.521586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.521586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.521586 (E_RNA) where: Base-Base interactions energy: -279.279 where: short stacking energy: -116.141 Base-Backbone interact. energy: -0.039 local terms energy: -125.203844 where: bonds (distance) C4'-P energy: -26.403 bonds (distance) P-C4' energy: -24.708 flat angles C4'-P-C4' energy: -24.022 flat angles P-C4'-P energy: -19.810 tors. eta vs tors. theta energy: -30.261 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: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -403.574039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.574039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.574039 (E_RNA) where: Base-Base interactions energy: -282.068 where: short stacking energy: -121.605 Base-Backbone interact. energy: -0.026 local terms energy: -121.480160 where: bonds (distance) C4'-P energy: -18.386 bonds (distance) P-C4' energy: -28.100 flat angles C4'-P-C4' energy: -28.593 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -36.537 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: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -350.656563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.656563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.656563 (E_RNA) where: Base-Base interactions energy: -223.986 where: short stacking energy: -103.826 Base-Backbone interact. energy: -0.765 local terms energy: -125.905504 where: bonds (distance) C4'-P energy: -27.613 bonds (distance) P-C4' energy: -25.529 flat angles C4'-P-C4' energy: -21.139 flat angles P-C4'-P energy: -15.652 tors. eta vs tors. theta energy: -35.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -350.769646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.769646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.769646 (E_RNA) where: Base-Base interactions energy: -234.753 where: short stacking energy: -108.779 Base-Backbone interact. energy: -0.016 local terms energy: -116.000485 where: bonds (distance) C4'-P energy: -23.532 bonds (distance) P-C4' energy: -18.648 flat angles C4'-P-C4' energy: -28.220 flat angles P-C4'-P energy: -17.592 tors. eta vs tors. theta energy: -28.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -321.050793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.050793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.050793 (E_RNA) where: Base-Base interactions energy: -217.036 where: short stacking energy: -93.653 Base-Backbone interact. energy: -1.284 local terms energy: -102.731007 where: bonds (distance) C4'-P energy: -24.326 bonds (distance) P-C4' energy: -20.228 flat angles C4'-P-C4' energy: -20.160 flat angles P-C4'-P energy: -12.742 tors. eta vs tors. theta energy: -25.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -269.748508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.748508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.748508 (E_RNA) where: Base-Base interactions energy: -176.311 where: short stacking energy: -91.667 Base-Backbone interact. energy: -0.163 local terms energy: -93.274933 where: bonds (distance) C4'-P energy: -22.196 bonds (distance) P-C4' energy: -20.231 flat angles C4'-P-C4' energy: -20.570 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -22.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -255.718873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.718873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.718873 (E_RNA) where: Base-Base interactions energy: -156.654 where: short stacking energy: -75.431 Base-Backbone interact. energy: -0.378 local terms energy: -98.687473 where: bonds (distance) C4'-P energy: -19.436 bonds (distance) P-C4' energy: -24.633 flat angles C4'-P-C4' energy: -27.666 flat angles P-C4'-P energy: -16.395 tors. eta vs tors. theta energy: -10.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -231.493718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.493718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.493718 (E_RNA) where: Base-Base interactions energy: -148.132 where: short stacking energy: -73.740 Base-Backbone interact. energy: -0.613 local terms energy: -82.749571 where: bonds (distance) C4'-P energy: -21.275 bonds (distance) P-C4' energy: -19.619 flat angles C4'-P-C4' energy: -17.934 flat angles P-C4'-P energy: -12.707 tors. eta vs tors. theta energy: -11.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -188.267427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.267427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.267427 (E_RNA) where: Base-Base interactions energy: -108.575 where: short stacking energy: -66.150 Base-Backbone interact. energy: -0.667 local terms energy: -79.025840 where: bonds (distance) C4'-P energy: -19.726 bonds (distance) P-C4' energy: -19.380 flat angles C4'-P-C4' energy: -18.094 flat angles P-C4'-P energy: -14.143 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: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -130.413620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.413620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.413620 (E_RNA) where: Base-Base interactions energy: -50.563 where: short stacking energy: -50.451 Base-Backbone interact. energy: -0.376 local terms energy: -79.473850 where: bonds (distance) C4'-P energy: -22.953 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -23.894 flat angles P-C4'-P energy: -11.524 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: 1, replica: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -396.708682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.708682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.708682 (E_RNA) where: Base-Base interactions energy: -263.982 where: short stacking energy: -118.868 Base-Backbone interact. energy: -1.318 local terms energy: -131.409304 where: bonds (distance) C4'-P energy: -23.811 bonds (distance) P-C4' energy: -23.942 flat angles C4'-P-C4' energy: -25.352 flat angles P-C4'-P energy: -23.089 tors. eta vs tors. theta energy: -35.215 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: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -378.947346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.947346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.947346 (E_RNA) where: Base-Base interactions energy: -267.080 where: short stacking energy: -107.068 Base-Backbone interact. energy: -0.114 local terms energy: -111.753569 where: bonds (distance) C4'-P energy: -23.749 bonds (distance) P-C4' energy: -25.251 flat angles C4'-P-C4' energy: -23.308 flat angles P-C4'-P energy: -14.265 tors. eta vs tors. theta energy: -25.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -383.726744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.726744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.726744 (E_RNA) where: Base-Base interactions energy: -265.994 where: short stacking energy: -117.709 Base-Backbone interact. energy: -0.325 local terms energy: -117.407699 where: bonds (distance) C4'-P energy: -20.786 bonds (distance) P-C4' energy: -21.638 flat angles C4'-P-C4' energy: -25.114 flat angles P-C4'-P energy: -19.018 tors. eta vs tors. theta energy: -30.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -354.356621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.356621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.356621 (E_RNA) where: Base-Base interactions energy: -241.711 where: short stacking energy: -113.535 Base-Backbone interact. energy: -0.106 local terms energy: -112.539580 where: bonds (distance) C4'-P energy: -26.571 bonds (distance) P-C4' energy: -17.161 flat angles C4'-P-C4' energy: -22.961 flat angles P-C4'-P energy: -13.204 tors. eta vs tors. theta energy: -32.642 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: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -286.085038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.085038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.085038 (E_RNA) where: Base-Base interactions energy: -182.682 where: short stacking energy: -82.091 Base-Backbone interact. energy: -0.694 local terms energy: -102.709843 where: bonds (distance) C4'-P energy: -18.611 bonds (distance) P-C4' energy: -24.383 flat angles C4'-P-C4' energy: -22.950 flat angles P-C4'-P energy: -15.704 tors. eta vs tors. theta energy: -21.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -301.723483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.723483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.723483 (E_RNA) where: Base-Base interactions energy: -202.717 where: short stacking energy: -86.348 Base-Backbone interact. energy: -0.106 local terms energy: -98.900802 where: bonds (distance) C4'-P energy: -23.823 bonds (distance) P-C4' energy: -17.336 flat angles C4'-P-C4' energy: -17.870 flat angles P-C4'-P energy: -14.456 tors. eta vs tors. theta energy: -25.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -267.652024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.652024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.652024 (E_RNA) where: Base-Base interactions energy: -165.809 where: short stacking energy: -76.727 Base-Backbone interact. energy: -0.436 local terms energy: -101.406772 where: bonds (distance) C4'-P energy: -24.368 bonds (distance) P-C4' energy: -27.430 flat angles C4'-P-C4' energy: -23.875 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -13.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -241.500819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.500819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.500819 (E_RNA) where: Base-Base interactions energy: -154.700 where: short stacking energy: -64.954 Base-Backbone interact. energy: -0.170 local terms energy: -86.630816 where: bonds (distance) C4'-P energy: -16.064 bonds (distance) P-C4' energy: -25.486 flat angles C4'-P-C4' energy: -20.807 flat angles P-C4'-P energy: -12.128 tors. eta vs tors. theta energy: -12.146 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: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -180.717273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.717273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.717273 (E_RNA) where: Base-Base interactions energy: -101.721 where: short stacking energy: -55.614 Base-Backbone interact. energy: -0.679 local terms energy: -78.318139 where: bonds (distance) C4'-P energy: -23.491 bonds (distance) P-C4' energy: -23.464 flat angles C4'-P-C4' energy: -17.436 flat angles P-C4'-P energy: -8.187 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -119.578346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.578346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.578346 (E_RNA) where: Base-Base interactions energy: -36.538 where: short stacking energy: -36.538 Base-Backbone interact. energy: 0.686 local terms energy: -83.726877 where: bonds (distance) C4'-P energy: -28.081 bonds (distance) P-C4' energy: -25.240 flat angles C4'-P-C4' energy: -14.421 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -399.236164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.236164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.236164 (E_RNA) where: Base-Base interactions energy: -271.603 where: short stacking energy: -123.030 Base-Backbone interact. energy: -1.133 local terms energy: -126.500627 where: bonds (distance) C4'-P energy: -19.404 bonds (distance) P-C4' energy: -22.732 flat angles C4'-P-C4' energy: -29.521 flat angles P-C4'-P energy: -20.353 tors. eta vs tors. theta energy: -34.491 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: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -385.115361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.115361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.115361 (E_RNA) where: Base-Base interactions energy: -263.141 where: short stacking energy: -110.882 Base-Backbone interact. energy: -0.891 local terms energy: -121.083098 where: bonds (distance) C4'-P energy: -22.815 bonds (distance) P-C4' energy: -24.888 flat angles C4'-P-C4' energy: -21.137 flat angles P-C4'-P energy: -20.667 tors. eta vs tors. theta energy: -31.576 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: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -374.078644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.078644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.078644 (E_RNA) where: Base-Base interactions energy: -248.089 where: short stacking energy: -109.468 Base-Backbone interact. energy: -0.390 local terms energy: -125.599829 where: bonds (distance) C4'-P energy: -23.424 bonds (distance) P-C4' energy: -24.991 flat angles C4'-P-C4' energy: -27.486 flat angles P-C4'-P energy: -15.689 tors. eta vs tors. theta energy: -34.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -342.410685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.410685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.410685 (E_RNA) where: Base-Base interactions energy: -228.861 where: short stacking energy: -102.003 Base-Backbone interact. energy: -0.283 local terms energy: -113.267160 where: bonds (distance) C4'-P energy: -22.515 bonds (distance) P-C4' energy: -23.878 flat angles C4'-P-C4' energy: -18.932 flat angles P-C4'-P energy: -14.764 tors. eta vs tors. theta energy: -33.178 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: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -314.131752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.131752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.131752 (E_RNA) where: Base-Base interactions energy: -204.880 where: short stacking energy: -87.086 Base-Backbone interact. energy: 0.016 local terms energy: -109.268108 where: bonds (distance) C4'-P energy: -27.452 bonds (distance) P-C4' energy: -26.259 flat angles C4'-P-C4' energy: -21.921 flat angles P-C4'-P energy: -12.431 tors. eta vs tors. theta energy: -21.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -313.249105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.249105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.249105 (E_RNA) where: Base-Base interactions energy: -210.043 where: short stacking energy: -92.050 Base-Backbone interact. energy: -0.367 local terms energy: -102.838437 where: bonds (distance) C4'-P energy: -23.697 bonds (distance) P-C4' energy: -24.886 flat angles C4'-P-C4' energy: -27.460 flat angles P-C4'-P energy: -9.499 tors. eta vs tors. theta energy: -17.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -219.475589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.475589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.475589 (E_RNA) where: Base-Base interactions energy: -141.927 where: short stacking energy: -56.833 Base-Backbone interact. energy: -0.866 local terms energy: -76.682595 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -22.826 flat angles C4'-P-C4' energy: -22.328 flat angles P-C4'-P energy: -13.920 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -199.413562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.413562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.413562 (E_RNA) where: Base-Base interactions energy: -106.876 where: short stacking energy: -54.356 Base-Backbone interact. energy: -0.126 local terms energy: -92.411337 where: bonds (distance) C4'-P energy: -25.884 bonds (distance) P-C4' energy: -19.138 flat angles C4'-P-C4' energy: -21.751 flat angles P-C4'-P energy: -17.578 tors. eta vs tors. theta energy: -8.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -261.075184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.075184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.075184 (E_RNA) where: Base-Base interactions energy: -164.542 where: short stacking energy: -80.303 Base-Backbone interact. energy: -0.102 local terms energy: -96.431505 where: bonds (distance) C4'-P energy: -21.814 bonds (distance) P-C4' energy: -26.357 flat angles C4'-P-C4' energy: -22.003 flat angles P-C4'-P energy: -13.038 tors. eta vs tors. theta energy: -13.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -122.333874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.333874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.333874 (E_RNA) where: Base-Base interactions energy: -45.690 where: short stacking energy: -41.030 Base-Backbone interact. energy: -0.542 local terms energy: -76.102601 where: bonds (distance) C4'-P energy: -15.215 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -22.205 flat angles P-C4'-P energy: -15.544 tors. eta vs tors. theta energy: -10.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -402.620016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.620016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.620016 (E_RNA) where: Base-Base interactions energy: -271.057 where: short stacking energy: -118.970 Base-Backbone interact. energy: -0.232 local terms energy: -131.331478 where: bonds (distance) C4'-P energy: -28.144 bonds (distance) P-C4' energy: -22.988 flat angles C4'-P-C4' energy: -27.164 flat angles P-C4'-P energy: -16.702 tors. eta vs tors. theta energy: -36.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -378.151526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.151526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.151526 (E_RNA) where: Base-Base interactions energy: -251.545 where: short stacking energy: -114.189 Base-Backbone interact. energy: -0.030 local terms energy: -126.576408 where: bonds (distance) C4'-P energy: -24.322 bonds (distance) P-C4' energy: -24.914 flat angles C4'-P-C4' energy: -27.448 flat angles P-C4'-P energy: -19.221 tors. eta vs tors. theta energy: -30.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -389.336793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.336793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.336793 (E_RNA) where: Base-Base interactions energy: -259.918 where: short stacking energy: -122.576 Base-Backbone interact. energy: -0.416 local terms energy: -129.002115 where: bonds (distance) C4'-P energy: -18.468 bonds (distance) P-C4' energy: -26.371 flat angles C4'-P-C4' energy: -25.348 flat angles P-C4'-P energy: -20.143 tors. eta vs tors. theta energy: -38.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -332.942098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.942098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.942098 (E_RNA) where: Base-Base interactions energy: -219.973 where: short stacking energy: -103.311 Base-Backbone interact. energy: -0.042 local terms energy: -112.927419 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -22.515 flat angles C4'-P-C4' energy: -25.521 flat angles P-C4'-P energy: -13.832 tors. eta vs tors. theta energy: -35.840 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: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -307.976525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.976525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.976525 (E_RNA) where: Base-Base interactions energy: -202.365 where: short stacking energy: -83.827 Base-Backbone interact. energy: -0.152 local terms energy: -105.459626 where: bonds (distance) C4'-P energy: -26.293 bonds (distance) P-C4' energy: -17.088 flat angles C4'-P-C4' energy: -24.108 flat angles P-C4'-P energy: -18.330 tors. eta vs tors. theta energy: -19.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -309.246613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.246613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.246613 (E_RNA) where: Base-Base interactions energy: -195.113 where: short stacking energy: -85.776 Base-Backbone interact. energy: -0.018 local terms energy: -114.115271 where: bonds (distance) C4'-P energy: -26.420 bonds (distance) P-C4' energy: -27.318 flat angles C4'-P-C4' energy: -20.182 flat angles P-C4'-P energy: -17.167 tors. eta vs tors. theta energy: -23.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -213.506696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.506696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.506696 (E_RNA) where: Base-Base interactions energy: -120.557 where: short stacking energy: -67.148 Base-Backbone interact. energy: -0.608 local terms energy: -92.341814 where: bonds (distance) C4'-P energy: -25.281 bonds (distance) P-C4' energy: -19.622 flat angles C4'-P-C4' energy: -18.147 flat angles P-C4'-P energy: -15.785 tors. eta vs tors. theta energy: -13.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -216.539521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.539521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.539521 (E_RNA) where: Base-Base interactions energy: -128.292 where: short stacking energy: -56.879 Base-Backbone interact. energy: -1.390 local terms energy: -86.857736 where: bonds (distance) C4'-P energy: -24.014 bonds (distance) P-C4' energy: -20.874 flat angles C4'-P-C4' energy: -17.740 flat angles P-C4'-P energy: -12.946 tors. eta vs tors. theta energy: -11.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -187.060061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.060061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.060061 (E_RNA) where: Base-Base interactions energy: -112.713 where: short stacking energy: -62.147 Base-Backbone interact. energy: 1.606 local terms energy: -75.953971 where: bonds (distance) C4'-P energy: -13.469 bonds (distance) P-C4' energy: -22.172 flat angles C4'-P-C4' energy: -21.510 flat angles P-C4'-P energy: -10.556 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: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -112.065356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.065356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.065356 (E_RNA) where: Base-Base interactions energy: -37.191 where: short stacking energy: -27.348 Base-Backbone interact. energy: 0.847 local terms energy: -75.721758 where: bonds (distance) C4'-P energy: -21.056 bonds (distance) P-C4' energy: -25.384 flat angles C4'-P-C4' energy: -16.816 flat angles P-C4'-P energy: -12.500 tors. eta vs tors. theta energy: 0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -398.815637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.815637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.815637 (E_RNA) where: Base-Base interactions energy: -267.896 where: short stacking energy: -119.778 Base-Backbone interact. energy: -0.577 local terms energy: -130.343410 where: bonds (distance) C4'-P energy: -25.052 bonds (distance) P-C4' energy: -24.824 flat angles C4'-P-C4' energy: -26.014 flat angles P-C4'-P energy: -17.676 tors. eta vs tors. theta energy: -36.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -392.670022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.670022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.670022 (E_RNA) where: Base-Base interactions energy: -271.912 where: short stacking energy: -113.715 Base-Backbone interact. energy: -0.454 local terms energy: -120.304536 where: bonds (distance) C4'-P energy: -23.647 bonds (distance) P-C4' energy: -18.921 flat angles C4'-P-C4' energy: -27.206 flat angles P-C4'-P energy: -17.371 tors. eta vs tors. theta energy: -33.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -374.134423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.134423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.134423 (E_RNA) where: Base-Base interactions energy: -260.305 where: short stacking energy: -108.530 Base-Backbone interact. energy: -0.114 local terms energy: -113.715215 where: bonds (distance) C4'-P energy: -22.352 bonds (distance) P-C4' energy: -23.799 flat angles C4'-P-C4' energy: -25.950 flat angles P-C4'-P energy: -13.989 tors. eta vs tors. theta energy: -27.626 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: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -323.422528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.422528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.422528 (E_RNA) where: Base-Base interactions energy: -216.711 where: short stacking energy: -99.391 Base-Backbone interact. energy: -0.864 local terms energy: -105.846810 where: bonds (distance) C4'-P energy: -23.983 bonds (distance) P-C4' energy: -18.293 flat angles C4'-P-C4' energy: -21.955 flat angles P-C4'-P energy: -16.676 tors. eta vs tors. theta energy: -24.940 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: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -321.208233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.208233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.208233 (E_RNA) where: Base-Base interactions energy: -199.496 where: short stacking energy: -100.619 Base-Backbone interact. energy: -0.727 local terms energy: -120.985346 where: bonds (distance) C4'-P energy: -24.733 bonds (distance) P-C4' energy: -21.328 flat angles C4'-P-C4' energy: -27.005 flat angles P-C4'-P energy: -15.069 tors. eta vs tors. theta energy: -32.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -307.930845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.930845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.930845 (E_RNA) where: Base-Base interactions energy: -197.734 where: short stacking energy: -103.701 Base-Backbone interact. energy: -0.696 local terms energy: -109.501019 where: bonds (distance) C4'-P energy: -23.500 bonds (distance) P-C4' energy: -20.840 flat angles C4'-P-C4' energy: -23.946 flat angles P-C4'-P energy: -13.120 tors. eta vs tors. theta energy: -28.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -229.195679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.195679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.195679 (E_RNA) where: Base-Base interactions energy: -130.442 where: short stacking energy: -70.550 Base-Backbone interact. energy: 0.774 local terms energy: -99.527382 where: bonds (distance) C4'-P energy: -19.011 bonds (distance) P-C4' energy: -27.259 flat angles C4'-P-C4' energy: -25.031 flat angles P-C4'-P energy: -15.672 tors. eta vs tors. theta energy: -12.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -197.207972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.207972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.207972 (E_RNA) where: Base-Base interactions energy: -105.719 where: short stacking energy: -62.565 Base-Backbone interact. energy: -0.002 local terms energy: -91.487224 where: bonds (distance) C4'-P energy: -25.643 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -19.802 flat angles P-C4'-P energy: -18.525 tors. eta vs tors. theta energy: -12.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -173.651687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.651687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.651687 (E_RNA) where: Base-Base interactions energy: -97.693 where: short stacking energy: -51.499 Base-Backbone interact. energy: -1.107 local terms energy: -74.851416 where: bonds (distance) C4'-P energy: -18.681 bonds (distance) P-C4' energy: -18.214 flat angles C4'-P-C4' energy: -21.419 flat angles P-C4'-P energy: -12.791 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: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -118.505769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.505769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.505769 (E_RNA) where: Base-Base interactions energy: -50.340 where: short stacking energy: -47.427 Base-Backbone interact. energy: 1.533 local terms energy: -69.699340 where: bonds (distance) C4'-P energy: -17.363 bonds (distance) P-C4' energy: -21.053 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -13.413 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -408.725419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.725419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.725419 (E_RNA) where: Base-Base interactions energy: -275.712 where: short stacking energy: -124.906 Base-Backbone interact. energy: -0.147 local terms energy: -132.867048 where: bonds (distance) C4'-P energy: -23.074 bonds (distance) P-C4' energy: -27.312 flat angles C4'-P-C4' energy: -27.226 flat angles P-C4'-P energy: -18.280 tors. eta vs tors. theta energy: -36.975 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: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -397.226293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.226293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.226293 (E_RNA) where: Base-Base interactions energy: -273.483 where: short stacking energy: -118.679 Base-Backbone interact. energy: -0.830 local terms energy: -122.913719 where: bonds (distance) C4'-P energy: -20.469 bonds (distance) P-C4' energy: -23.094 flat angles C4'-P-C4' energy: -22.619 flat angles P-C4'-P energy: -16.710 tors. eta vs tors. theta energy: -40.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -349.953054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.953054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.953054 (E_RNA) where: Base-Base interactions energy: -233.708 where: short stacking energy: -96.138 Base-Backbone interact. energy: -0.298 local terms energy: -115.947657 where: bonds (distance) C4'-P energy: -28.571 bonds (distance) P-C4' energy: -23.193 flat angles C4'-P-C4' energy: -23.409 flat angles P-C4'-P energy: -17.712 tors. eta vs tors. theta energy: -23.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -367.109632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.109632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.109632 (E_RNA) where: Base-Base interactions energy: -250.294 where: short stacking energy: -101.606 Base-Backbone interact. energy: -0.022 local terms energy: -116.793890 where: bonds (distance) C4'-P energy: -19.564 bonds (distance) P-C4' energy: -23.173 flat angles C4'-P-C4' energy: -28.356 flat angles P-C4'-P energy: -18.764 tors. eta vs tors. theta energy: -26.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -315.106656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.106656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.106656 (E_RNA) where: Base-Base interactions energy: -200.931 where: short stacking energy: -97.282 Base-Backbone interact. energy: -0.276 local terms energy: -113.900211 where: bonds (distance) C4'-P energy: -22.513 bonds (distance) P-C4' energy: -24.606 flat angles C4'-P-C4' energy: -20.351 flat angles P-C4'-P energy: -18.185 tors. eta vs tors. theta energy: -28.245 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: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -280.432011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.432011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.432011 (E_RNA) where: Base-Base interactions energy: -179.640 where: short stacking energy: -94.872 Base-Backbone interact. energy: -0.056 local terms energy: -100.736501 where: bonds (distance) C4'-P energy: -12.221 bonds (distance) P-C4' energy: -25.038 flat angles C4'-P-C4' energy: -26.919 flat angles P-C4'-P energy: -15.648 tors. eta vs tors. theta energy: -20.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -249.423597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.423597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.423597 (E_RNA) where: Base-Base interactions energy: -152.688 where: short stacking energy: -82.889 Base-Backbone interact. energy: -0.040 local terms energy: -96.695100 where: bonds (distance) C4'-P energy: -17.542 bonds (distance) P-C4' energy: -18.514 flat angles C4'-P-C4' energy: -25.851 flat angles P-C4'-P energy: -16.256 tors. eta vs tors. theta energy: -18.533 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: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -207.732937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.732937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.732937 (E_RNA) where: Base-Base interactions energy: -123.362 where: short stacking energy: -65.839 Base-Backbone interact. energy: -0.306 local terms energy: -84.065515 where: bonds (distance) C4'-P energy: -16.113 bonds (distance) P-C4' energy: -22.414 flat angles C4'-P-C4' energy: -25.152 flat angles P-C4'-P energy: -8.435 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -205.861416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.861416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.861416 (E_RNA) where: Base-Base interactions energy: -135.103 where: short stacking energy: -73.581 Base-Backbone interact. energy: -0.360 local terms energy: -70.398123 where: bonds (distance) C4'-P energy: -8.425 bonds (distance) P-C4' energy: -21.424 flat angles C4'-P-C4' energy: -22.201 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: -10.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -115.482674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.482674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.482674 (E_RNA) where: Base-Base interactions energy: -39.271 where: short stacking energy: -26.548 Base-Backbone interact. energy: -0.135 local terms energy: -76.076819 where: bonds (distance) C4'-P energy: -26.757 bonds (distance) P-C4' energy: -20.258 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -12.721 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: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -396.348441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.348441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.348441 (E_RNA) where: Base-Base interactions energy: -260.784 where: short stacking energy: -120.997 Base-Backbone interact. energy: -0.120 local terms energy: -135.444635 where: bonds (distance) C4'-P energy: -23.670 bonds (distance) P-C4' energy: -28.989 flat angles C4'-P-C4' energy: -25.482 flat angles P-C4'-P energy: -21.215 tors. eta vs tors. theta energy: -36.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -395.593747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.593747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.593747 (E_RNA) where: Base-Base interactions energy: -268.905 where: short stacking energy: -115.975 Base-Backbone interact. energy: -0.826 local terms energy: -125.861989 where: bonds (distance) C4'-P energy: -21.124 bonds (distance) P-C4' energy: -22.470 flat angles C4'-P-C4' energy: -24.421 flat angles P-C4'-P energy: -18.625 tors. eta vs tors. theta energy: -39.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -343.805641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.805641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.805641 (E_RNA) where: Base-Base interactions energy: -243.794 where: short stacking energy: -100.666 Base-Backbone interact. energy: 0.389 local terms energy: -100.400356 where: bonds (distance) C4'-P energy: -21.575 bonds (distance) P-C4' energy: -21.217 flat angles C4'-P-C4' energy: -21.818 flat angles P-C4'-P energy: -10.511 tors. eta vs tors. theta energy: -25.279 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: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -363.568687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.568687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.568687 (E_RNA) where: Base-Base interactions energy: -252.749 where: short stacking energy: -106.457 Base-Backbone interact. energy: -0.581 local terms energy: -110.238910 where: bonds (distance) C4'-P energy: -20.522 bonds (distance) P-C4' energy: -22.926 flat angles C4'-P-C4' energy: -23.964 flat angles P-C4'-P energy: -13.738 tors. eta vs tors. theta energy: -29.089 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: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -312.321751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.321751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.321751 (E_RNA) where: Base-Base interactions energy: -202.384 where: short stacking energy: -107.522 Base-Backbone interact. energy: -0.004 local terms energy: -109.934395 where: bonds (distance) C4'-P energy: -21.942 bonds (distance) P-C4' energy: -23.876 flat angles C4'-P-C4' energy: -18.824 flat angles P-C4'-P energy: -13.694 tors. eta vs tors. theta energy: -31.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -227.261608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.261608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.261608 (E_RNA) where: Base-Base interactions energy: -137.955 where: short stacking energy: -74.296 Base-Backbone interact. energy: -1.354 local terms energy: -87.952801 where: bonds (distance) C4'-P energy: -21.278 bonds (distance) P-C4' energy: -23.371 flat angles C4'-P-C4' energy: -17.150 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -18.421 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: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -288.757721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.757721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.757721 (E_RNA) where: Base-Base interactions energy: -202.024 where: short stacking energy: -105.949 Base-Backbone interact. energy: -0.066 local terms energy: -86.667559 where: bonds (distance) C4'-P energy: -14.437 bonds (distance) P-C4' energy: -16.785 flat angles C4'-P-C4' energy: -21.587 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -24.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -207.223303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.223303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.223303 (E_RNA) where: Base-Base interactions energy: -120.527 where: short stacking energy: -58.720 Base-Backbone interact. energy: -0.168 local terms energy: -86.528325 where: bonds (distance) C4'-P energy: -22.208 bonds (distance) P-C4' energy: -23.752 flat angles C4'-P-C4' energy: -22.144 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -8.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -215.016969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.016969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.016969 (E_RNA) where: Base-Base interactions energy: -130.618 where: short stacking energy: -58.861 Base-Backbone interact. energy: -0.365 local terms energy: -84.033713 where: bonds (distance) C4'-P energy: -22.222 bonds (distance) P-C4' energy: -21.738 flat angles C4'-P-C4' energy: -21.615 flat angles P-C4'-P energy: -15.432 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -126.421236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.421236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.421236 (E_RNA) where: Base-Base interactions energy: -54.628 where: short stacking energy: -34.855 Base-Backbone interact. energy: -1.057 local terms energy: -70.736332 where: bonds (distance) C4'-P energy: -18.913 bonds (distance) P-C4' energy: -23.482 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -12.103 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -406.708019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.708019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.708019 (E_RNA) where: Base-Base interactions energy: -267.204 where: short stacking energy: -110.307 Base-Backbone interact. energy: -0.728 local terms energy: -138.775809 where: bonds (distance) C4'-P energy: -25.415 bonds (distance) P-C4' energy: -26.276 flat angles C4'-P-C4' energy: -27.492 flat angles P-C4'-P energy: -20.524 tors. eta vs tors. theta energy: -39.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -382.757157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.757157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.757157 (E_RNA) where: Base-Base interactions energy: -256.382 where: short stacking energy: -114.670 Base-Backbone interact. energy: -0.459 local terms energy: -125.915794 where: bonds (distance) C4'-P energy: -23.992 bonds (distance) P-C4' energy: -20.968 flat angles C4'-P-C4' energy: -23.025 flat angles P-C4'-P energy: -22.252 tors. eta vs tors. theta energy: -35.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -319.789023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.789023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.789023 (E_RNA) where: Base-Base interactions energy: -216.859 where: short stacking energy: -97.876 Base-Backbone interact. energy: -1.419 local terms energy: -101.510783 where: bonds (distance) C4'-P energy: -21.016 bonds (distance) P-C4' energy: -21.149 flat angles C4'-P-C4' energy: -22.052 flat angles P-C4'-P energy: -19.128 tors. eta vs tors. theta energy: -18.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -341.595205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.595205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.595205 (E_RNA) where: Base-Base interactions energy: -242.515 where: short stacking energy: -97.004 Base-Backbone interact. energy: -0.360 local terms energy: -98.719509 where: bonds (distance) C4'-P energy: -18.690 bonds (distance) P-C4' energy: -20.649 flat angles C4'-P-C4' energy: -27.299 flat angles P-C4'-P energy: -13.544 tors. eta vs tors. theta energy: -18.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -341.089346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.089346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.089346 (E_RNA) where: Base-Base interactions energy: -222.462 where: short stacking energy: -106.185 Base-Backbone interact. energy: -0.264 local terms energy: -118.363300 where: bonds (distance) C4'-P energy: -24.581 bonds (distance) P-C4' energy: -23.680 flat angles C4'-P-C4' energy: -23.167 flat angles P-C4'-P energy: -13.444 tors. eta vs tors. theta energy: -33.492 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: 9 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -250.144761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.144761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.144761 (E_RNA) where: Base-Base interactions energy: -151.376 where: short stacking energy: -81.781 Base-Backbone interact. energy: -0.503 local terms energy: -98.265732 where: bonds (distance) C4'-P energy: -22.166 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -22.996 flat angles P-C4'-P energy: -20.250 tors. eta vs tors. theta energy: -16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -276.507780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.507780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.507780 (E_RNA) where: Base-Base interactions energy: -178.601 where: short stacking energy: -89.079 Base-Backbone interact. energy: -0.099 local terms energy: -97.808091 where: bonds (distance) C4'-P energy: -21.470 bonds (distance) P-C4' energy: -22.317 flat angles C4'-P-C4' energy: -20.024 flat angles P-C4'-P energy: -14.493 tors. eta vs tors. theta energy: -19.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -231.084133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.084133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.084133 (E_RNA) where: Base-Base interactions energy: -141.196 where: short stacking energy: -75.071 Base-Backbone interact. energy: -0.336 local terms energy: -89.552562 where: bonds (distance) C4'-P energy: -16.076 bonds (distance) P-C4' energy: -18.967 flat angles C4'-P-C4' energy: -21.722 flat angles P-C4'-P energy: -15.572 tors. eta vs tors. theta energy: -17.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -247.198039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.198039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.198039 (E_RNA) where: Base-Base interactions energy: -144.585 where: short stacking energy: -71.729 Base-Backbone interact. energy: -0.093 local terms energy: -102.519740 where: bonds (distance) C4'-P energy: -25.718 bonds (distance) P-C4' energy: -23.445 flat angles C4'-P-C4' energy: -24.420 flat angles P-C4'-P energy: -13.808 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -136.209248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.209248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.209248 (E_RNA) where: Base-Base interactions energy: -69.775 where: short stacking energy: -43.271 Base-Backbone interact. energy: -0.233 local terms energy: -66.201400 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -22.228 flat angles C4'-P-C4' energy: -26.571 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -408.751621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.751621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.751621 (E_RNA) where: Base-Base interactions energy: -278.156 where: short stacking energy: -121.799 Base-Backbone interact. energy: -1.154 local terms energy: -129.442042 where: bonds (distance) C4'-P energy: -23.290 bonds (distance) P-C4' energy: -26.005 flat angles C4'-P-C4' energy: -24.714 flat angles P-C4'-P energy: -19.588 tors. eta vs tors. theta energy: -35.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -382.028100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.028100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.028100 (E_RNA) where: Base-Base interactions energy: -258.520 where: short stacking energy: -116.279 Base-Backbone interact. energy: -2.103 local terms energy: -121.405342 where: bonds (distance) C4'-P energy: -24.092 bonds (distance) P-C4' energy: -23.243 flat angles C4'-P-C4' energy: -22.895 flat angles P-C4'-P energy: -19.700 tors. eta vs tors. theta energy: -31.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -328.836137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.836137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.836137 (E_RNA) where: Base-Base interactions energy: -231.039 where: short stacking energy: -88.093 Base-Backbone interact. energy: 2.322 local terms energy: -100.119645 where: bonds (distance) C4'-P energy: -23.678 bonds (distance) P-C4' energy: -24.973 flat angles C4'-P-C4' energy: -21.925 flat angles P-C4'-P energy: -11.890 tors. eta vs tors. theta energy: -17.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -343.071376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.071376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.071376 (E_RNA) where: Base-Base interactions energy: -234.553 where: short stacking energy: -98.547 Base-Backbone interact. energy: 0.562 local terms energy: -109.079720 where: bonds (distance) C4'-P energy: -17.433 bonds (distance) P-C4' energy: -22.913 flat angles C4'-P-C4' energy: -28.152 flat angles P-C4'-P energy: -13.262 tors. eta vs tors. theta energy: -27.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -319.752982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.752982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.752982 (E_RNA) where: Base-Base interactions energy: -214.260 where: short stacking energy: -95.011 Base-Backbone interact. energy: -0.138 local terms energy: -105.355004 where: bonds (distance) C4'-P energy: -22.584 bonds (distance) P-C4' energy: -19.202 flat angles C4'-P-C4' energy: -24.781 flat angles P-C4'-P energy: -12.534 tors. eta vs tors. theta energy: -26.254 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: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -255.978975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.978975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.978975 (E_RNA) where: Base-Base interactions energy: -163.500 where: short stacking energy: -94.360 Base-Backbone interact. energy: -0.159 local terms energy: -92.319235 where: bonds (distance) C4'-P energy: -18.037 bonds (distance) P-C4' energy: -21.711 flat angles C4'-P-C4' energy: -25.329 flat angles P-C4'-P energy: -9.576 tors. eta vs tors. theta energy: -17.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -229.424718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.424718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.424718 (E_RNA) where: Base-Base interactions energy: -138.944 where: short stacking energy: -78.143 Base-Backbone interact. energy: -0.626 local terms energy: -89.854835 where: bonds (distance) C4'-P energy: -16.674 bonds (distance) P-C4' energy: -21.749 flat angles C4'-P-C4' energy: -18.816 flat angles P-C4'-P energy: -17.437 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -199.915898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.915898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.915898 (E_RNA) where: Base-Base interactions energy: -111.307 where: short stacking energy: -51.980 Base-Backbone interact. energy: -1.342 local terms energy: -87.267077 where: bonds (distance) C4'-P energy: -18.080 bonds (distance) P-C4' energy: -29.063 flat angles C4'-P-C4' energy: -18.452 flat angles P-C4'-P energy: -14.643 tors. eta vs tors. theta energy: -7.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -200.693756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.693756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.693756 (E_RNA) where: Base-Base interactions energy: -120.236 where: short stacking energy: -58.950 Base-Backbone interact. energy: -0.805 local terms energy: -79.652582 where: bonds (distance) C4'-P energy: -18.350 bonds (distance) P-C4' energy: -22.306 flat angles C4'-P-C4' energy: -21.741 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -11.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -123.880704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.880704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.880704 (E_RNA) where: Base-Base interactions energy: -50.634 where: short stacking energy: -43.149 Base-Backbone interact. energy: -0.477 local terms energy: -72.769080 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -23.319 flat angles C4'-P-C4' energy: -21.143 flat angles P-C4'-P energy: -9.938 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: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -406.465132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.465132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.465132 (E_RNA) where: Base-Base interactions energy: -279.514 where: short stacking energy: -124.810 Base-Backbone interact. energy: -0.012 local terms energy: -126.938799 where: bonds (distance) C4'-P energy: -20.957 bonds (distance) P-C4' energy: -22.776 flat angles C4'-P-C4' energy: -28.000 flat angles P-C4'-P energy: -16.743 tors. eta vs tors. theta energy: -38.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -378.480206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.480206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.480206 (E_RNA) where: Base-Base interactions energy: -258.095 where: short stacking energy: -114.960 Base-Backbone interact. energy: -0.063 local terms energy: -120.321529 where: bonds (distance) C4'-P energy: -19.388 bonds (distance) P-C4' energy: -25.284 flat angles C4'-P-C4' energy: -24.791 flat angles P-C4'-P energy: -16.078 tors. eta vs tors. theta energy: -34.780 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: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -366.685937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.685937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.685937 (E_RNA) where: Base-Base interactions energy: -245.677 where: short stacking energy: -111.487 Base-Backbone interact. energy: -0.024 local terms energy: -120.985569 where: bonds (distance) C4'-P energy: -24.174 bonds (distance) P-C4' energy: -25.174 flat angles C4'-P-C4' energy: -27.636 flat angles P-C4'-P energy: -12.071 tors. eta vs tors. theta energy: -31.930 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: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -323.341474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.341474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.341474 (E_RNA) where: Base-Base interactions energy: -219.900 where: short stacking energy: -102.477 Base-Backbone interact. energy: -0.516 local terms energy: -102.925302 where: bonds (distance) C4'-P energy: -22.204 bonds (distance) P-C4' energy: -24.309 flat angles C4'-P-C4' energy: -24.690 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -22.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -305.857342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.857342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.857342 (E_RNA) where: Base-Base interactions energy: -197.422 where: short stacking energy: -90.397 Base-Backbone interact. energy: -0.302 local terms energy: -108.133824 where: bonds (distance) C4'-P energy: -16.870 bonds (distance) P-C4' energy: -22.112 flat angles C4'-P-C4' energy: -26.965 flat angles P-C4'-P energy: -16.321 tors. eta vs tors. theta energy: -25.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -237.129210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.129210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.129210 (E_RNA) where: Base-Base interactions energy: -157.208 where: short stacking energy: -75.727 Base-Backbone interact. energy: -0.584 local terms energy: -79.337703 where: bonds (distance) C4'-P energy: -16.279 bonds (distance) P-C4' energy: -20.597 flat angles C4'-P-C4' energy: -15.905 flat angles P-C4'-P energy: -18.332 tors. eta vs tors. theta energy: -8.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -254.119345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.119345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.119345 (E_RNA) where: Base-Base interactions energy: -151.181 where: short stacking energy: -85.308 Base-Backbone interact. energy: -0.179 local terms energy: -102.759570 where: bonds (distance) C4'-P energy: -23.955 bonds (distance) P-C4' energy: -19.050 flat angles C4'-P-C4' energy: -25.152 flat angles P-C4'-P energy: -17.076 tors. eta vs tors. theta energy: -17.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -195.760198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.760198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.760198 (E_RNA) where: Base-Base interactions energy: -103.797 where: short stacking energy: -67.254 Base-Backbone interact. energy: -1.445 local terms energy: -90.517971 where: bonds (distance) C4'-P energy: -22.577 bonds (distance) P-C4' energy: -22.941 flat angles C4'-P-C4' energy: -17.776 flat angles P-C4'-P energy: -14.768 tors. eta vs tors. theta energy: -12.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -206.329888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.329888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.329888 (E_RNA) where: Base-Base interactions energy: -115.775 where: short stacking energy: -64.418 Base-Backbone interact. energy: -0.582 local terms energy: -89.972255 where: bonds (distance) C4'-P energy: -18.112 bonds (distance) P-C4' energy: -24.338 flat angles C4'-P-C4' energy: -18.288 flat angles P-C4'-P energy: -13.811 tors. eta vs tors. theta energy: -15.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -183.832026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.832026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.832026 (E_RNA) where: Base-Base interactions energy: -105.427 where: short stacking energy: -47.637 Base-Backbone interact. energy: -0.909 local terms energy: -77.496249 where: bonds (distance) C4'-P energy: -16.763 bonds (distance) P-C4' energy: -19.773 flat angles C4'-P-C4' energy: -20.500 flat angles P-C4'-P energy: -13.960 tors. eta vs tors. theta energy: -6.501 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: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -405.358386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.358386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.358386 (E_RNA) where: Base-Base interactions energy: -276.583 where: short stacking energy: -125.478 Base-Backbone interact. energy: 0.726 local terms energy: -129.501790 where: bonds (distance) C4'-P energy: -23.975 bonds (distance) P-C4' energy: -20.516 flat angles C4'-P-C4' energy: -25.628 flat angles P-C4'-P energy: -22.659 tors. eta vs tors. theta energy: -36.724 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: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -378.439559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.439559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.439559 (E_RNA) where: Base-Base interactions energy: -248.588 where: short stacking energy: -113.358 Base-Backbone interact. energy: -1.338 local terms energy: -128.514140 where: bonds (distance) C4'-P energy: -23.594 bonds (distance) P-C4' energy: -27.571 flat angles C4'-P-C4' energy: -27.336 flat angles P-C4'-P energy: -15.573 tors. eta vs tors. theta energy: -34.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -362.587756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.587756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.587756 (E_RNA) where: Base-Base interactions energy: -248.849 where: short stacking energy: -102.768 Base-Backbone interact. energy: 1.079 local terms energy: -114.817335 where: bonds (distance) C4'-P energy: -23.305 bonds (distance) P-C4' energy: -19.065 flat angles C4'-P-C4' energy: -26.397 flat angles P-C4'-P energy: -16.629 tors. eta vs tors. theta energy: -29.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -339.986464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.986464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.986464 (E_RNA) where: Base-Base interactions energy: -224.582 where: short stacking energy: -108.980 Base-Backbone interact. energy: -0.357 local terms energy: -115.047545 where: bonds (distance) C4'-P energy: -24.411 bonds (distance) P-C4' energy: -23.482 flat angles C4'-P-C4' energy: -21.832 flat angles P-C4'-P energy: -15.212 tors. eta vs tors. theta energy: -30.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -310.551465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.551465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.551465 (E_RNA) where: Base-Base interactions energy: -210.261 where: short stacking energy: -83.840 Base-Backbone interact. energy: -0.309 local terms energy: -99.981719 where: bonds (distance) C4'-P energy: -21.861 bonds (distance) P-C4' energy: -20.881 flat angles C4'-P-C4' energy: -23.598 flat angles P-C4'-P energy: -14.921 tors. eta vs tors. theta energy: -18.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -246.667097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.667097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.667097 (E_RNA) where: Base-Base interactions energy: -152.008 where: short stacking energy: -88.130 Base-Backbone interact. energy: -0.236 local terms energy: -94.423540 where: bonds (distance) C4'-P energy: -20.796 bonds (distance) P-C4' energy: -20.523 flat angles C4'-P-C4' energy: -23.480 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -18.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -244.854774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.854774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.854774 (E_RNA) where: Base-Base interactions energy: -156.452 where: short stacking energy: -72.501 Base-Backbone interact. energy: -0.216 local terms energy: -88.186668 where: bonds (distance) C4'-P energy: -15.132 bonds (distance) P-C4' energy: -21.225 flat angles C4'-P-C4' energy: -23.185 flat angles P-C4'-P energy: -16.587 tors. eta vs tors. theta energy: -12.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -184.308903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.308903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.308903 (E_RNA) where: Base-Base interactions energy: -99.714 where: short stacking energy: -63.177 Base-Backbone interact. energy: -0.524 local terms energy: -84.070935 where: bonds (distance) C4'-P energy: -17.593 bonds (distance) P-C4' energy: -22.323 flat angles C4'-P-C4' energy: -22.781 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: -12.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -182.123159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.123159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.123159 (E_RNA) where: Base-Base interactions energy: -100.531 where: short stacking energy: -55.404 Base-Backbone interact. energy: -0.423 local terms energy: -81.168548 where: bonds (distance) C4'-P energy: -17.989 bonds (distance) P-C4' energy: -19.456 flat angles C4'-P-C4' energy: -20.261 flat angles P-C4'-P energy: -13.697 tors. eta vs tors. theta energy: -9.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -193.707382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.707382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.707382 (E_RNA) where: Base-Base interactions energy: -107.502 where: short stacking energy: -64.517 Base-Backbone interact. energy: -0.226 local terms energy: -85.979005 where: bonds (distance) C4'-P energy: -21.831 bonds (distance) P-C4' energy: -26.213 flat angles C4'-P-C4' energy: -19.882 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -9.829 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: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -421.952779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.952779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.952779 (E_RNA) where: Base-Base interactions energy: -287.682 where: short stacking energy: -123.989 Base-Backbone interact. energy: -1.087 local terms energy: -133.183728 where: bonds (distance) C4'-P energy: -19.793 bonds (distance) P-C4' energy: -27.660 flat angles C4'-P-C4' energy: -29.240 flat angles P-C4'-P energy: -19.131 tors. eta vs tors. theta energy: -37.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -384.383424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.383424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.383424 (E_RNA) where: Base-Base interactions energy: -260.000 where: short stacking energy: -111.710 Base-Backbone interact. energy: -0.939 local terms energy: -123.444212 where: bonds (distance) C4'-P energy: -26.969 bonds (distance) P-C4' energy: -28.861 flat angles C4'-P-C4' energy: -21.747 flat angles P-C4'-P energy: -17.805 tors. eta vs tors. theta energy: -28.064 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: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -373.340029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.340029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.340029 (E_RNA) where: Base-Base interactions energy: -256.672 where: short stacking energy: -116.046 Base-Backbone interact. energy: -1.039 local terms energy: -115.629063 where: bonds (distance) C4'-P energy: -15.961 bonds (distance) P-C4' energy: -25.665 flat angles C4'-P-C4' energy: -24.897 flat angles P-C4'-P energy: -16.274 tors. eta vs tors. theta energy: -32.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -350.911633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.911633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.911633 (E_RNA) where: Base-Base interactions energy: -231.160 where: short stacking energy: -121.518 Base-Backbone interact. energy: -0.006 local terms energy: -119.745340 where: bonds (distance) C4'-P energy: -25.470 bonds (distance) P-C4' energy: -20.897 flat angles C4'-P-C4' energy: -25.768 flat angles P-C4'-P energy: -14.626 tors. eta vs tors. theta energy: -32.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -307.869826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.869826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.869826 (E_RNA) where: Base-Base interactions energy: -208.785 where: short stacking energy: -86.943 Base-Backbone interact. energy: 0.585 local terms energy: -99.670279 where: bonds (distance) C4'-P energy: -16.820 bonds (distance) P-C4' energy: -18.617 flat angles C4'-P-C4' energy: -23.420 flat angles P-C4'-P energy: -16.854 tors. eta vs tors. theta energy: -23.960 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: 9 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -219.859325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.859325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.859325 (E_RNA) where: Base-Base interactions energy: -126.056 where: short stacking energy: -63.495 Base-Backbone interact. energy: -0.102 local terms energy: -93.700731 where: bonds (distance) C4'-P energy: -21.972 bonds (distance) P-C4' energy: -21.304 flat angles C4'-P-C4' energy: -24.847 flat angles P-C4'-P energy: -16.176 tors. eta vs tors. theta energy: -9.401 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: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -222.234823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.234823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.234823 (E_RNA) where: Base-Base interactions energy: -138.858 where: short stacking energy: -69.986 Base-Backbone interact. energy: -0.155 local terms energy: -83.221163 where: bonds (distance) C4'-P energy: -20.655 bonds (distance) P-C4' energy: -17.661 flat angles C4'-P-C4' energy: -19.114 flat angles P-C4'-P energy: -7.190 tors. eta vs tors. theta energy: -18.603 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: 8, replica: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -195.472362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.472362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.472362 (E_RNA) where: Base-Base interactions energy: -114.356 where: short stacking energy: -65.784 Base-Backbone interact. energy: 1.311 local terms energy: -82.426452 where: bonds (distance) C4'-P energy: -20.879 bonds (distance) P-C4' energy: -22.974 flat angles C4'-P-C4' energy: -21.756 flat angles P-C4'-P energy: -8.995 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: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -165.034750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.034750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.034750 (E_RNA) where: Base-Base interactions energy: -91.511 where: short stacking energy: -50.443 Base-Backbone interact. energy: -0.151 local terms energy: -73.373497 where: bonds (distance) C4'-P energy: -15.712 bonds (distance) P-C4' energy: -23.474 flat angles C4'-P-C4' energy: -16.659 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -8.307 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: 60 Temperature: 1.350000 Total energy: -177.987760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.987760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.987760 (E_RNA) where: Base-Base interactions energy: -97.974 where: short stacking energy: -46.467 Base-Backbone interact. energy: 0.258 local terms energy: -80.271218 where: bonds (distance) C4'-P energy: -19.097 bonds (distance) P-C4' energy: -22.282 flat angles C4'-P-C4' energy: -15.858 flat angles P-C4'-P energy: -19.617 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -416.727471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.727471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.727471 (E_RNA) where: Base-Base interactions energy: -280.357 where: short stacking energy: -112.465 Base-Backbone interact. energy: -2.015 local terms energy: -134.355374 where: bonds (distance) C4'-P energy: -20.134 bonds (distance) P-C4' energy: -27.508 flat angles C4'-P-C4' energy: -27.964 flat angles P-C4'-P energy: -20.818 tors. eta vs tors. theta energy: -37.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -374.733395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.733395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.733395 (E_RNA) where: Base-Base interactions energy: -243.674 where: short stacking energy: -110.211 Base-Backbone interact. energy: -0.697 local terms energy: -130.361736 where: bonds (distance) C4'-P energy: -24.960 bonds (distance) P-C4' energy: -25.832 flat angles C4'-P-C4' energy: -24.322 flat angles P-C4'-P energy: -19.381 tors. eta vs tors. theta energy: -35.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -402.522204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.522204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.522204 (E_RNA) where: Base-Base interactions energy: -274.213 where: short stacking energy: -122.268 Base-Backbone interact. energy: 0.047 local terms energy: -128.356195 where: bonds (distance) C4'-P energy: -22.025 bonds (distance) P-C4' energy: -22.473 flat angles C4'-P-C4' energy: -24.773 flat angles P-C4'-P energy: -19.934 tors. eta vs tors. theta energy: -39.151 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: 4 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -353.342219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.342219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.342219 (E_RNA) where: Base-Base interactions energy: -235.423 where: short stacking energy: -105.022 Base-Backbone interact. energy: -0.086 local terms energy: -117.833454 where: bonds (distance) C4'-P energy: -23.744 bonds (distance) P-C4' energy: -23.128 flat angles C4'-P-C4' energy: -23.413 flat angles P-C4'-P energy: -17.054 tors. eta vs tors. theta energy: -30.494 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: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -302.846889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.846889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.846889 (E_RNA) where: Base-Base interactions energy: -200.042 where: short stacking energy: -86.514 Base-Backbone interact. energy: -1.102 local terms energy: -101.702802 where: bonds (distance) C4'-P energy: -22.908 bonds (distance) P-C4' energy: -21.386 flat angles C4'-P-C4' energy: -21.485 flat angles P-C4'-P energy: -14.018 tors. eta vs tors. theta energy: -21.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -268.872715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.872715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.872715 (E_RNA) where: Base-Base interactions energy: -163.774 where: short stacking energy: -90.452 Base-Backbone interact. energy: -0.320 local terms energy: -104.779165 where: bonds (distance) C4'-P energy: -20.468 bonds (distance) P-C4' energy: -25.608 flat angles C4'-P-C4' energy: -26.263 flat angles P-C4'-P energy: -12.024 tors. eta vs tors. theta energy: -20.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -231.736473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.736473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.736473 (E_RNA) where: Base-Base interactions energy: -137.234 where: short stacking energy: -67.023 Base-Backbone interact. energy: -0.125 local terms energy: -94.377099 where: bonds (distance) C4'-P energy: -25.663 bonds (distance) P-C4' energy: -22.718 flat angles C4'-P-C4' energy: -17.833 flat angles P-C4'-P energy: -13.108 tors. eta vs tors. theta energy: -15.055 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: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -190.481013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.481013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.481013 (E_RNA) where: Base-Base interactions energy: -118.396 where: short stacking energy: -59.535 Base-Backbone interact. energy: 0.898 local terms energy: -72.983511 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -22.225 flat angles C4'-P-C4' energy: -21.846 flat angles P-C4'-P energy: -11.299 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: 9, replica: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -129.214893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.214893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.214893 (E_RNA) where: Base-Base interactions energy: -49.249 where: short stacking energy: -40.551 Base-Backbone interact. energy: -0.154 local terms energy: -79.812717 where: bonds (distance) C4'-P energy: -23.698 bonds (distance) P-C4' energy: -17.484 flat angles C4'-P-C4' energy: -16.376 flat angles P-C4'-P energy: -16.732 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -162.624476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.624476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.624476 (E_RNA) where: Base-Base interactions energy: -92.982 where: short stacking energy: -52.786 Base-Backbone interact. energy: -0.163 local terms energy: -69.479471 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -19.010 flat angles P-C4'-P energy: -15.661 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -418.764103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.764103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.764103 (E_RNA) where: Base-Base interactions energy: -283.781 where: short stacking energy: -126.010 Base-Backbone interact. energy: -0.979 local terms energy: -134.004322 where: bonds (distance) C4'-P energy: -24.589 bonds (distance) P-C4' energy: -22.424 flat angles C4'-P-C4' energy: -29.737 flat angles P-C4'-P energy: -20.885 tors. eta vs tors. theta energy: -36.370 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: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -377.755105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.755105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.755105 (E_RNA) where: Base-Base interactions energy: -268.911 where: short stacking energy: -103.513 Base-Backbone interact. energy: -0.392 local terms energy: -108.451675 where: bonds (distance) C4'-P energy: -24.107 bonds (distance) P-C4' energy: -17.675 flat angles C4'-P-C4' energy: -21.941 flat angles P-C4'-P energy: -13.395 tors. eta vs tors. theta energy: -31.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -390.408987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.408987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.408987 (E_RNA) where: Base-Base interactions energy: -262.284 where: short stacking energy: -114.313 Base-Backbone interact. energy: -0.474 local terms energy: -127.650748 where: bonds (distance) C4'-P energy: -25.386 bonds (distance) P-C4' energy: -25.366 flat angles C4'-P-C4' energy: -24.347 flat angles P-C4'-P energy: -17.003 tors. eta vs tors. theta energy: -35.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -338.140731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.140731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.140731 (E_RNA) where: Base-Base interactions energy: -230.700 where: short stacking energy: -113.274 Base-Backbone interact. energy: -0.313 local terms energy: -107.127675 where: bonds (distance) C4'-P energy: -17.890 bonds (distance) P-C4' energy: -17.248 flat angles C4'-P-C4' energy: -24.033 flat angles P-C4'-P energy: -16.263 tors. eta vs tors. theta energy: -31.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -289.669114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.669114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.669114 (E_RNA) where: Base-Base interactions energy: -192.922 where: short stacking energy: -89.437 Base-Backbone interact. energy: -1.849 local terms energy: -94.898412 where: bonds (distance) C4'-P energy: -21.457 bonds (distance) P-C4' energy: -28.014 flat angles C4'-P-C4' energy: -17.365 flat angles P-C4'-P energy: -12.420 tors. eta vs tors. theta energy: -15.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -274.761875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.761875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.761875 (E_RNA) where: Base-Base interactions energy: -179.993 where: short stacking energy: -80.641 Base-Backbone interact. energy: -1.037 local terms energy: -93.731552 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -15.671 flat angles C4'-P-C4' energy: -22.474 flat angles P-C4'-P energy: -16.889 tors. eta vs tors. theta energy: -23.903 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: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -268.174777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.174777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.174777 (E_RNA) where: Base-Base interactions energy: -161.393 where: short stacking energy: -85.454 Base-Backbone interact. energy: -0.964 local terms energy: -105.818556 where: bonds (distance) C4'-P energy: -20.664 bonds (distance) P-C4' energy: -20.814 flat angles C4'-P-C4' energy: -24.506 flat angles P-C4'-P energy: -20.203 tors. eta vs tors. theta energy: -19.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -200.627517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.627517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.627517 (E_RNA) where: Base-Base interactions energy: -122.412 where: short stacking energy: -68.928 Base-Backbone interact. energy: -0.085 local terms energy: -78.130784 where: bonds (distance) C4'-P energy: -15.997 bonds (distance) P-C4' energy: -17.200 flat angles C4'-P-C4' energy: -22.214 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -14.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -120.305377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.305377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.305377 (E_RNA) where: Base-Base interactions energy: -45.515 where: short stacking energy: -40.756 Base-Backbone interact. energy: -0.043 local terms energy: -74.746585 where: bonds (distance) C4'-P energy: -17.223 bonds (distance) P-C4' energy: -24.611 flat angles C4'-P-C4' energy: -20.695 flat angles P-C4'-P energy: -12.403 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: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -131.720607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.720607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.720607 (E_RNA) where: Base-Base interactions energy: -47.214 where: short stacking energy: -45.769 Base-Backbone interact. energy: 1.377 local terms energy: -85.882811 where: bonds (distance) C4'-P energy: -25.823 bonds (distance) P-C4' energy: -22.779 flat angles C4'-P-C4' energy: -19.550 flat angles P-C4'-P energy: -15.073 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: 1, replica: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -404.291914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.291914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.291914 (E_RNA) where: Base-Base interactions energy: -270.635 where: short stacking energy: -118.634 Base-Backbone interact. energy: -0.068 local terms energy: -133.588608 where: bonds (distance) C4'-P energy: -22.609 bonds (distance) P-C4' energy: -24.958 flat angles C4'-P-C4' energy: -24.579 flat angles P-C4'-P energy: -24.632 tors. eta vs tors. theta energy: -36.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -379.715328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.715328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.715328 (E_RNA) where: Base-Base interactions energy: -266.135 where: short stacking energy: -117.533 Base-Backbone interact. energy: -0.698 local terms energy: -112.881553 where: bonds (distance) C4'-P energy: -21.833 bonds (distance) P-C4' energy: -23.887 flat angles C4'-P-C4' energy: -23.217 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -33.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -396.018053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.018053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.018053 (E_RNA) where: Base-Base interactions energy: -267.243 where: short stacking energy: -122.749 Base-Backbone interact. energy: -0.406 local terms energy: -128.369590 where: bonds (distance) C4'-P energy: -20.506 bonds (distance) P-C4' energy: -24.846 flat angles C4'-P-C4' energy: -27.981 flat angles P-C4'-P energy: -18.670 tors. eta vs tors. theta energy: -36.366 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: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -306.194406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.194406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.194406 (E_RNA) where: Base-Base interactions energy: -204.347 where: short stacking energy: -87.398 Base-Backbone interact. energy: -0.898 local terms energy: -100.948829 where: bonds (distance) C4'-P energy: -23.978 bonds (distance) P-C4' energy: -22.149 flat angles C4'-P-C4' energy: -23.628 flat angles P-C4'-P energy: -15.685 tors. eta vs tors. theta energy: -15.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -334.760668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.760668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.760668 (E_RNA) where: Base-Base interactions energy: -211.116 where: short stacking energy: -101.789 Base-Backbone interact. energy: -0.917 local terms energy: -122.727865 where: bonds (distance) C4'-P energy: -22.828 bonds (distance) P-C4' energy: -23.980 flat angles C4'-P-C4' energy: -24.486 flat angles P-C4'-P energy: -20.529 tors. eta vs tors. theta energy: -30.905 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: 6, replica: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -291.458332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.458332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.458332 (E_RNA) where: Base-Base interactions energy: -190.359 where: short stacking energy: -99.568 Base-Backbone interact. energy: -0.895 local terms energy: -100.204753 where: bonds (distance) C4'-P energy: -15.897 bonds (distance) P-C4' energy: -20.234 flat angles C4'-P-C4' energy: -21.364 flat angles P-C4'-P energy: -19.429 tors. eta vs tors. theta energy: -23.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -306.411947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.411947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.411947 (E_RNA) where: Base-Base interactions energy: -202.332 where: short stacking energy: -101.135 Base-Backbone interact. energy: 0.451 local terms energy: -104.531204 where: bonds (distance) C4'-P energy: -23.387 bonds (distance) P-C4' energy: -21.666 flat angles C4'-P-C4' energy: -24.665 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -25.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -229.219422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.219422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.219422 (E_RNA) where: Base-Base interactions energy: -147.846 where: short stacking energy: -79.202 Base-Backbone interact. energy: -1.229 local terms energy: -80.144801 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -21.520 flat angles P-C4'-P energy: -16.612 tors. eta vs tors. theta energy: -13.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -128.413495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.413495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.413495 (E_RNA) where: Base-Base interactions energy: -48.074 where: short stacking energy: -45.891 Base-Backbone interact. energy: -0.358 local terms energy: -79.981752 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -21.410 flat angles C4'-P-C4' energy: -23.684 flat angles P-C4'-P energy: -9.777 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: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -122.448638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.448638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.448638 (E_RNA) where: Base-Base interactions energy: -44.902 where: short stacking energy: -44.902 Base-Backbone interact. energy: -0.392 local terms energy: -77.154978 where: bonds (distance) C4'-P energy: -24.785 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -16.480 flat angles P-C4'-P energy: -15.257 tors. eta vs tors. theta energy: -8.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -411.949793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.949793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.949793 (E_RNA) where: Base-Base interactions energy: -280.491 where: short stacking energy: -123.418 Base-Backbone interact. energy: -1.028 local terms energy: -130.430729 where: bonds (distance) C4'-P energy: -24.112 bonds (distance) P-C4' energy: -27.211 flat angles C4'-P-C4' energy: -26.394 flat angles P-C4'-P energy: -18.946 tors. eta vs tors. theta energy: -33.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -374.908057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.908057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.908057 (E_RNA) where: Base-Base interactions energy: -251.367 where: short stacking energy: -102.309 Base-Backbone interact. energy: -0.301 local terms energy: -123.240040 where: bonds (distance) C4'-P energy: -23.624 bonds (distance) P-C4' energy: -25.858 flat angles C4'-P-C4' energy: -21.874 flat angles P-C4'-P energy: -23.525 tors. eta vs tors. theta energy: -28.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -396.674192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.674192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.674192 (E_RNA) where: Base-Base interactions energy: -267.366 where: short stacking energy: -116.913 Base-Backbone interact. energy: -0.016 local terms energy: -129.292044 where: bonds (distance) C4'-P energy: -27.030 bonds (distance) P-C4' energy: -27.339 flat angles C4'-P-C4' energy: -22.658 flat angles P-C4'-P energy: -14.733 tors. eta vs tors. theta energy: -37.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -319.726868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.726868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.726868 (E_RNA) where: Base-Base interactions energy: -215.104 where: short stacking energy: -87.460 Base-Backbone interact. energy: -0.737 local terms energy: -103.885223 where: bonds (distance) C4'-P energy: -23.031 bonds (distance) P-C4' energy: -28.401 flat angles C4'-P-C4' energy: -21.566 flat angles P-C4'-P energy: -14.837 tors. eta vs tors. theta energy: -16.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -330.031706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.031706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.031706 (E_RNA) where: Base-Base interactions energy: -213.414 where: short stacking energy: -106.821 Base-Backbone interact. energy: -0.114 local terms energy: -116.504168 where: bonds (distance) C4'-P energy: -20.059 bonds (distance) P-C4' energy: -22.622 flat angles C4'-P-C4' energy: -26.195 flat angles P-C4'-P energy: -19.236 tors. eta vs tors. theta energy: -28.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -287.740168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.740168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.740168 (E_RNA) where: Base-Base interactions energy: -199.499 where: short stacking energy: -88.611 Base-Backbone interact. energy: -0.314 local terms energy: -87.927108 where: bonds (distance) C4'-P energy: -17.894 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -20.909 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -27.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -311.224642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.224642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.224642 (E_RNA) where: Base-Base interactions energy: -198.669 where: short stacking energy: -90.073 Base-Backbone interact. energy: -0.603 local terms energy: -111.953062 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -22.464 flat angles C4'-P-C4' energy: -23.533 flat angles P-C4'-P energy: -20.611 tors. eta vs tors. theta energy: -29.254 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: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -190.411483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.411483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.411483 (E_RNA) where: Base-Base interactions energy: -112.679 where: short stacking energy: -60.928 Base-Backbone interact. energy: -0.634 local terms energy: -77.098153 where: bonds (distance) C4'-P energy: -21.966 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -13.854 flat angles P-C4'-P energy: -14.539 tors. eta vs tors. theta energy: -7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -129.655350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.655350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.655350 (E_RNA) where: Base-Base interactions energy: -59.800 where: short stacking energy: -55.140 Base-Backbone interact. energy: -0.396 local terms energy: -69.458914 where: bonds (distance) C4'-P energy: -17.587 bonds (distance) P-C4' energy: -19.785 flat angles C4'-P-C4' energy: -17.461 flat angles P-C4'-P energy: -11.887 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -136.509685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.509685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.509685 (E_RNA) where: Base-Base interactions energy: -66.530 where: short stacking energy: -47.330 Base-Backbone interact. energy: -0.858 local terms energy: -69.121965 where: bonds (distance) C4'-P energy: -25.895 bonds (distance) P-C4' energy: -18.505 flat angles C4'-P-C4' energy: -17.299 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -425.368835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.368835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.368835 (E_RNA) where: Base-Base interactions energy: -289.663 where: short stacking energy: -129.399 Base-Backbone interact. energy: -0.814 local terms energy: -134.891727 where: bonds (distance) C4'-P energy: -28.838 bonds (distance) P-C4' energy: -19.314 flat angles C4'-P-C4' energy: -27.015 flat angles P-C4'-P energy: -19.171 tors. eta vs tors. theta energy: -40.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -392.052308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.052308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.052308 (E_RNA) where: Base-Base interactions energy: -269.952 where: short stacking energy: -124.548 Base-Backbone interact. energy: -0.195 local terms energy: -121.905448 where: bonds (distance) C4'-P energy: -18.912 bonds (distance) P-C4' energy: -26.044 flat angles C4'-P-C4' energy: -23.918 flat angles P-C4'-P energy: -15.261 tors. eta vs tors. theta energy: -37.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -367.696007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.696007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.696007 (E_RNA) where: Base-Base interactions energy: -247.087 where: short stacking energy: -106.851 Base-Backbone interact. energy: -0.400 local terms energy: -120.209691 where: bonds (distance) C4'-P energy: -24.664 bonds (distance) P-C4' energy: -22.774 flat angles C4'-P-C4' energy: -27.585 flat angles P-C4'-P energy: -18.401 tors. eta vs tors. theta energy: -26.786 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: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -310.689771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.689771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.689771 (E_RNA) where: Base-Base interactions energy: -219.709 where: short stacking energy: -82.777 Base-Backbone interact. energy: -1.207 local terms energy: -89.774064 where: bonds (distance) C4'-P energy: -16.932 bonds (distance) P-C4' energy: -23.986 flat angles C4'-P-C4' energy: -23.250 flat angles P-C4'-P energy: -15.807 tors. eta vs tors. theta energy: -9.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -334.042001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.042001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.042001 (E_RNA) where: Base-Base interactions energy: -219.927 where: short stacking energy: -107.988 Base-Backbone interact. energy: -0.029 local terms energy: -114.085787 where: bonds (distance) C4'-P energy: -22.947 bonds (distance) P-C4' energy: -22.676 flat angles C4'-P-C4' energy: -25.286 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -32.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -303.177429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.177429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.177429 (E_RNA) where: Base-Base interactions energy: -199.735 where: short stacking energy: -83.990 Base-Backbone interact. energy: -0.018 local terms energy: -103.424446 where: bonds (distance) C4'-P energy: -25.788 bonds (distance) P-C4' energy: -27.026 flat angles C4'-P-C4' energy: -24.308 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -17.905 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: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -285.966432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.966432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.966432 (E_RNA) where: Base-Base interactions energy: -177.688 where: short stacking energy: -83.674 Base-Backbone interact. energy: -0.112 local terms energy: -108.165611 where: bonds (distance) C4'-P energy: -23.475 bonds (distance) P-C4' energy: -25.191 flat angles C4'-P-C4' energy: -25.819 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -23.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -204.027245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.027245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.027245 (E_RNA) where: Base-Base interactions energy: -115.270 where: short stacking energy: -65.990 Base-Backbone interact. energy: -0.357 local terms energy: -88.399798 where: bonds (distance) C4'-P energy: -16.979 bonds (distance) P-C4' energy: -23.806 flat angles C4'-P-C4' energy: -21.928 flat angles P-C4'-P energy: -16.090 tors. eta vs tors. theta energy: -9.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -171.445692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.445692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.445692 (E_RNA) where: Base-Base interactions energy: -98.042 where: short stacking energy: -55.516 Base-Backbone interact. energy: -0.546 local terms energy: -72.857395 where: bonds (distance) C4'-P energy: -13.882 bonds (distance) P-C4' energy: -22.573 flat angles C4'-P-C4' energy: -17.256 flat angles P-C4'-P energy: -13.008 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -142.654934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.654934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.654934 (E_RNA) where: Base-Base interactions energy: -70.335 where: short stacking energy: -51.908 Base-Backbone interact. energy: -0.096 local terms energy: -72.223844 where: bonds (distance) C4'-P energy: -20.254 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -17.707 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -7.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -410.339108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.339108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.339108 (E_RNA) where: Base-Base interactions energy: -284.636 where: short stacking energy: -128.571 Base-Backbone interact. energy: -1.857 local terms energy: -123.846070 where: bonds (distance) C4'-P energy: -20.361 bonds (distance) P-C4' energy: -25.392 flat angles C4'-P-C4' energy: -23.894 flat angles P-C4'-P energy: -16.868 tors. eta vs tors. theta energy: -37.331 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: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -395.916148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.916148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.916148 (E_RNA) where: Base-Base interactions energy: -263.654 where: short stacking energy: -117.934 Base-Backbone interact. energy: -0.536 local terms energy: -131.725546 where: bonds (distance) C4'-P energy: -22.986 bonds (distance) P-C4' energy: -24.933 flat angles C4'-P-C4' energy: -25.529 flat angles P-C4'-P energy: -21.273 tors. eta vs tors. theta energy: -37.005 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: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -370.043491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.043491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.043491 (E_RNA) where: Base-Base interactions energy: -251.081 where: short stacking energy: -110.542 Base-Backbone interact. energy: -2.108 local terms energy: -116.855365 where: bonds (distance) C4'-P energy: -24.455 bonds (distance) P-C4' energy: -23.134 flat angles C4'-P-C4' energy: -22.843 flat angles P-C4'-P energy: -12.256 tors. eta vs tors. theta energy: -34.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -320.662537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.662537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.662537 (E_RNA) where: Base-Base interactions energy: -219.935 where: short stacking energy: -91.205 Base-Backbone interact. energy: 1.797 local terms energy: -102.524446 where: bonds (distance) C4'-P energy: -19.600 bonds (distance) P-C4' energy: -27.235 flat angles C4'-P-C4' energy: -22.356 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -22.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -337.366525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.366525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.366525 (E_RNA) where: Base-Base interactions energy: -228.045 where: short stacking energy: -107.152 Base-Backbone interact. energy: 0.032 local terms energy: -109.353830 where: bonds (distance) C4'-P energy: -16.723 bonds (distance) P-C4' energy: -20.772 flat angles C4'-P-C4' energy: -26.678 flat angles P-C4'-P energy: -15.397 tors. eta vs tors. theta energy: -29.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -318.195992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.195992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.195992 (E_RNA) where: Base-Base interactions energy: -211.753 where: short stacking energy: -93.776 Base-Backbone interact. energy: -0.624 local terms energy: -105.819573 where: bonds (distance) C4'-P energy: -24.953 bonds (distance) P-C4' energy: -19.995 flat angles C4'-P-C4' energy: -23.951 flat angles P-C4'-P energy: -16.390 tors. eta vs tors. theta energy: -20.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -301.290293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.290293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.290293 (E_RNA) where: Base-Base interactions energy: -194.343 where: short stacking energy: -89.480 Base-Backbone interact. energy: -0.718 local terms energy: -106.229475 where: bonds (distance) C4'-P energy: -17.510 bonds (distance) P-C4' energy: -19.725 flat angles C4'-P-C4' energy: -25.150 flat angles P-C4'-P energy: -17.574 tors. eta vs tors. theta energy: -26.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -215.214365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.214365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.214365 (E_RNA) where: Base-Base interactions energy: -119.202 where: short stacking energy: -66.501 Base-Backbone interact. energy: -0.539 local terms energy: -95.473403 where: bonds (distance) C4'-P energy: -16.395 bonds (distance) P-C4' energy: -25.015 flat angles C4'-P-C4' energy: -27.434 flat angles P-C4'-P energy: -16.661 tors. eta vs tors. theta energy: -9.969 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: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -164.631314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.631314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.631314 (E_RNA) where: Base-Base interactions energy: -90.839 where: short stacking energy: -45.880 Base-Backbone interact. energy: -0.053 local terms energy: -73.739335 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -20.595 flat angles C4'-P-C4' energy: -18.343 flat angles P-C4'-P energy: -15.223 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: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -124.334244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.334244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.334244 (E_RNA) where: Base-Base interactions energy: -48.242 where: short stacking energy: -32.761 Base-Backbone interact. energy: -0.496 local terms energy: -75.596489 where: bonds (distance) C4'-P energy: -21.619 bonds (distance) P-C4' energy: -22.063 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -13.306 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: 1, replica: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -406.426497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.426497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.426497 (E_RNA) where: Base-Base interactions energy: -278.784 where: short stacking energy: -120.583 Base-Backbone interact. energy: -1.806 local terms energy: -125.836319 where: bonds (distance) C4'-P energy: -25.241 bonds (distance) P-C4' energy: -23.908 flat angles C4'-P-C4' energy: -20.332 flat angles P-C4'-P energy: -18.374 tors. eta vs tors. theta energy: -37.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -403.266755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.266755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.266755 (E_RNA) where: Base-Base interactions energy: -272.856 where: short stacking energy: -109.959 Base-Backbone interact. energy: -1.489 local terms energy: -128.922010 where: bonds (distance) C4'-P energy: -26.791 bonds (distance) P-C4' energy: -24.512 flat angles C4'-P-C4' energy: -22.707 flat angles P-C4'-P energy: -20.036 tors. eta vs tors. theta energy: -34.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -370.170171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.170171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.170171 (E_RNA) where: Base-Base interactions energy: -245.558 where: short stacking energy: -104.685 Base-Backbone interact. energy: -0.450 local terms energy: -124.162570 where: bonds (distance) C4'-P energy: -22.411 bonds (distance) P-C4' energy: -27.598 flat angles C4'-P-C4' energy: -26.111 flat angles P-C4'-P energy: -18.973 tors. eta vs tors. theta energy: -29.070 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: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -343.957977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.957977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.957977 (E_RNA) where: Base-Base interactions energy: -220.521 where: short stacking energy: -114.471 Base-Backbone interact. energy: -1.157 local terms energy: -122.280853 where: bonds (distance) C4'-P energy: -26.300 bonds (distance) P-C4' energy: -22.160 flat angles C4'-P-C4' energy: -26.326 flat angles P-C4'-P energy: -17.599 tors. eta vs tors. theta energy: -29.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -313.656570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.656570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.656570 (E_RNA) where: Base-Base interactions energy: -210.635 where: short stacking energy: -94.825 Base-Backbone interact. energy: 0.135 local terms energy: -103.156738 where: bonds (distance) C4'-P energy: -22.008 bonds (distance) P-C4' energy: -22.627 flat angles C4'-P-C4' energy: -26.385 flat angles P-C4'-P energy: -14.935 tors. eta vs tors. theta energy: -17.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -309.833675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.833675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.833675 (E_RNA) where: Base-Base interactions energy: -196.294 where: short stacking energy: -91.920 Base-Backbone interact. energy: -0.161 local terms energy: -113.378293 where: bonds (distance) C4'-P energy: -20.046 bonds (distance) P-C4' energy: -23.568 flat angles C4'-P-C4' energy: -27.644 flat angles P-C4'-P energy: -14.370 tors. eta vs tors. theta energy: -27.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -308.889613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.889613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.889613 (E_RNA) where: Base-Base interactions energy: -194.031 where: short stacking energy: -82.910 Base-Backbone interact. energy: -1.782 local terms energy: -113.077169 where: bonds (distance) C4'-P energy: -23.283 bonds (distance) P-C4' energy: -25.064 flat angles C4'-P-C4' energy: -22.922 flat angles P-C4'-P energy: -19.527 tors. eta vs tors. theta energy: -22.282 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: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -172.446172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.446172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.446172 (E_RNA) where: Base-Base interactions energy: -92.150 where: short stacking energy: -37.152 Base-Backbone interact. energy: -3.091 local terms energy: -77.205056 where: bonds (distance) C4'-P energy: -22.912 bonds (distance) P-C4' energy: -24.585 flat angles C4'-P-C4' energy: -16.743 flat angles P-C4'-P energy: -8.740 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: 9, replica: 5 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -197.280077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.280077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.280077 (E_RNA) where: Base-Base interactions energy: -118.367 where: short stacking energy: -52.028 Base-Backbone interact. energy: 0.573 local terms energy: -79.486199 where: bonds (distance) C4'-P energy: -20.646 bonds (distance) P-C4' energy: -21.517 flat angles C4'-P-C4' energy: -17.692 flat angles P-C4'-P energy: -13.501 tors. eta vs tors. theta energy: -6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -118.790000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.790000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.790000 (E_RNA) where: Base-Base interactions energy: -53.972 where: short stacking energy: -48.672 Base-Backbone interact. energy: -0.260 local terms energy: -64.558130 where: bonds (distance) C4'-P energy: -16.053 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -17.835 flat angles P-C4'-P energy: -12.157 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -409.657633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.657633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.657633 (E_RNA) where: Base-Base interactions energy: -276.770 where: short stacking energy: -120.088 Base-Backbone interact. energy: -0.079 local terms energy: -132.808719 where: bonds (distance) C4'-P energy: -24.989 bonds (distance) P-C4' energy: -22.851 flat angles C4'-P-C4' energy: -23.608 flat angles P-C4'-P energy: -21.754 tors. eta vs tors. theta energy: -39.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -399.269082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.269082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.269082 (E_RNA) where: Base-Base interactions energy: -264.839 where: short stacking energy: -115.028 Base-Backbone interact. energy: -0.993 local terms energy: -133.436707 where: bonds (distance) C4'-P energy: -25.092 bonds (distance) P-C4' energy: -25.688 flat angles C4'-P-C4' energy: -24.886 flat angles P-C4'-P energy: -22.256 tors. eta vs tors. theta energy: -35.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -364.192703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.192703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.192703 (E_RNA) where: Base-Base interactions energy: -241.255 where: short stacking energy: -122.179 Base-Backbone interact. energy: -0.818 local terms energy: -122.119472 where: bonds (distance) C4'-P energy: -19.658 bonds (distance) P-C4' energy: -19.696 flat angles C4'-P-C4' energy: -27.079 flat angles P-C4'-P energy: -21.018 tors. eta vs tors. theta energy: -34.668 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: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -355.791018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.791018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.791018 (E_RNA) where: Base-Base interactions energy: -241.153 where: short stacking energy: -112.180 Base-Backbone interact. energy: -0.162 local terms energy: -114.476154 where: bonds (distance) C4'-P energy: -19.689 bonds (distance) P-C4' energy: -22.478 flat angles C4'-P-C4' energy: -22.021 flat angles P-C4'-P energy: -14.146 tors. eta vs tors. theta energy: -36.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -322.602801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.602801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.602801 (E_RNA) where: Base-Base interactions energy: -233.504 where: short stacking energy: -92.327 Base-Backbone interact. energy: 1.235 local terms energy: -90.333935 where: bonds (distance) C4'-P energy: -21.702 bonds (distance) P-C4' energy: -22.577 flat angles C4'-P-C4' energy: -20.595 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -17.789 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: 6, replica: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -279.549918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.549918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.549918 (E_RNA) where: Base-Base interactions energy: -177.475 where: short stacking energy: -79.132 Base-Backbone interact. energy: -0.562 local terms energy: -101.512638 where: bonds (distance) C4'-P energy: -23.512 bonds (distance) P-C4' energy: -24.263 flat angles C4'-P-C4' energy: -25.542 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -20.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -286.571654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.571654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.571654 (E_RNA) where: Base-Base interactions energy: -187.178 where: short stacking energy: -81.650 Base-Backbone interact. energy: -1.831 local terms energy: -97.561680 where: bonds (distance) C4'-P energy: -11.842 bonds (distance) P-C4' energy: -25.193 flat angles C4'-P-C4' energy: -18.801 flat angles P-C4'-P energy: -21.543 tors. eta vs tors. theta energy: -20.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -166.632685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.632685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.632685 (E_RNA) where: Base-Base interactions energy: -81.137 where: short stacking energy: -45.817 Base-Backbone interact. energy: -0.553 local terms energy: -84.942706 where: bonds (distance) C4'-P energy: -18.060 bonds (distance) P-C4' energy: -26.206 flat angles C4'-P-C4' energy: -17.749 flat angles P-C4'-P energy: -15.361 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -190.793669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.793669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.793669 (E_RNA) where: Base-Base interactions energy: -111.080 where: short stacking energy: -68.281 Base-Backbone interact. energy: -0.495 local terms energy: -79.218774 where: bonds (distance) C4'-P energy: -19.506 bonds (distance) P-C4' energy: -22.181 flat angles C4'-P-C4' energy: -19.660 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -13.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -114.727005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.727005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.727005 (E_RNA) where: Base-Base interactions energy: -42.839 where: short stacking energy: -42.839 Base-Backbone interact. energy: -0.107 local terms energy: -71.780461 where: bonds (distance) C4'-P energy: -23.445 bonds (distance) P-C4' energy: -24.606 flat angles C4'-P-C4' energy: -17.523 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: 3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -410.416638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.416638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.416638 (E_RNA) where: Base-Base interactions energy: -288.937 where: short stacking energy: -125.731 Base-Backbone interact. energy: -0.094 local terms energy: -121.385655 where: bonds (distance) C4'-P energy: -21.071 bonds (distance) P-C4' energy: -25.563 flat angles C4'-P-C4' energy: -25.104 flat angles P-C4'-P energy: -15.389 tors. eta vs tors. theta energy: -34.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -371.831245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.831245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.831245 (E_RNA) where: Base-Base interactions energy: -249.300 where: short stacking energy: -132.144 Base-Backbone interact. energy: -0.054 local terms energy: -122.476768 where: bonds (distance) C4'-P energy: -22.380 bonds (distance) P-C4' energy: -23.919 flat angles C4'-P-C4' energy: -24.920 flat angles P-C4'-P energy: -18.267 tors. eta vs tors. theta energy: -32.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -381.485325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.485325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.485325 (E_RNA) where: Base-Base interactions energy: -270.881 where: short stacking energy: -118.690 Base-Backbone interact. energy: -1.749 local terms energy: -108.855497 where: bonds (distance) C4'-P energy: -20.585 bonds (distance) P-C4' energy: -19.050 flat angles C4'-P-C4' energy: -22.791 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -35.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -367.883054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.883054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.883054 (E_RNA) where: Base-Base interactions energy: -247.258 where: short stacking energy: -110.412 Base-Backbone interact. energy: -0.428 local terms energy: -120.197094 where: bonds (distance) C4'-P energy: -24.508 bonds (distance) P-C4' energy: -23.058 flat angles C4'-P-C4' energy: -24.529 flat angles P-C4'-P energy: -13.117 tors. eta vs tors. theta energy: -34.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -326.492678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.492678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.492678 (E_RNA) where: Base-Base interactions energy: -219.528 where: short stacking energy: -95.739 Base-Backbone interact. energy: -1.218 local terms energy: -105.746938 where: bonds (distance) C4'-P energy: -22.772 bonds (distance) P-C4' energy: -25.875 flat angles C4'-P-C4' energy: -24.396 flat angles P-C4'-P energy: -15.249 tors. eta vs tors. theta energy: -17.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -286.303460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.303460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.303460 (E_RNA) where: Base-Base interactions energy: -185.503 where: short stacking energy: -87.774 Base-Backbone interact. energy: -0.035 local terms energy: -100.765937 where: bonds (distance) C4'-P energy: -19.794 bonds (distance) P-C4' energy: -21.338 flat angles C4'-P-C4' energy: -28.970 flat angles P-C4'-P energy: -11.949 tors. eta vs tors. theta energy: -18.715 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: 7, replica: 10 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -292.544666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.544666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.544666 (E_RNA) where: Base-Base interactions energy: -191.818 where: short stacking energy: -97.904 Base-Backbone interact. energy: 0.237 local terms energy: -100.963470 where: bonds (distance) C4'-P energy: -17.877 bonds (distance) P-C4' energy: -20.750 flat angles C4'-P-C4' energy: -23.274 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -29.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -170.017361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.017361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.017361 (E_RNA) where: Base-Base interactions energy: -80.008 where: short stacking energy: -45.465 Base-Backbone interact. energy: -0.470 local terms energy: -89.539196 where: bonds (distance) C4'-P energy: -20.874 bonds (distance) P-C4' energy: -25.378 flat angles C4'-P-C4' energy: -23.089 flat angles P-C4'-P energy: -15.133 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: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -182.377948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.377948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.377948 (E_RNA) where: Base-Base interactions energy: -108.750 where: short stacking energy: -46.359 Base-Backbone interact. energy: -0.773 local terms energy: -72.854771 where: bonds (distance) C4'-P energy: -19.918 bonds (distance) P-C4' energy: -18.367 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -13.610 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: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -130.969782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.969782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.969782 (E_RNA) where: Base-Base interactions energy: -55.323 where: short stacking energy: -51.120 Base-Backbone interact. energy: -0.124 local terms energy: -75.521966 where: bonds (distance) C4'-P energy: -16.165 bonds (distance) P-C4' energy: -18.825 flat angles C4'-P-C4' energy: -17.153 flat angles P-C4'-P energy: -18.775 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: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -367.866229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.866229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.866229 (E_RNA) where: Base-Base interactions energy: -243.824 where: short stacking energy: -122.826 Base-Backbone interact. energy: 1.084 local terms energy: -125.126357 where: bonds (distance) C4'-P energy: -21.486 bonds (distance) P-C4' energy: -24.426 flat angles C4'-P-C4' energy: -25.324 flat angles P-C4'-P energy: -18.655 tors. eta vs tors. theta energy: -35.236 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: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -405.235918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.235918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.235918 (E_RNA) where: Base-Base interactions energy: -282.211 where: short stacking energy: -114.431 Base-Backbone interact. energy: -0.634 local terms energy: -122.390997 where: bonds (distance) C4'-P energy: -26.637 bonds (distance) P-C4' energy: -19.173 flat angles C4'-P-C4' energy: -28.549 flat angles P-C4'-P energy: -12.277 tors. eta vs tors. theta energy: -35.754 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: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -384.963636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.963636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.963636 (E_RNA) where: Base-Base interactions energy: -265.740 where: short stacking energy: -115.350 Base-Backbone interact. energy: -0.619 local terms energy: -118.604686 where: bonds (distance) C4'-P energy: -20.043 bonds (distance) P-C4' energy: -19.431 flat angles C4'-P-C4' energy: -25.933 flat angles P-C4'-P energy: -21.367 tors. eta vs tors. theta energy: -31.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -361.086417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.086417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.086417 (E_RNA) where: Base-Base interactions energy: -248.659 where: short stacking energy: -102.626 Base-Backbone interact. energy: -0.346 local terms energy: -112.080892 where: bonds (distance) C4'-P energy: -22.935 bonds (distance) P-C4' energy: -25.419 flat angles C4'-P-C4' energy: -21.928 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -32.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -304.491051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.491051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.491051 (E_RNA) where: Base-Base interactions energy: -202.505 where: short stacking energy: -88.010 Base-Backbone interact. energy: 0.160 local terms energy: -102.145679 where: bonds (distance) C4'-P energy: -18.006 bonds (distance) P-C4' energy: -25.863 flat angles C4'-P-C4' energy: -22.771 flat angles P-C4'-P energy: -13.863 tors. eta vs tors. theta energy: -21.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -305.542899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.542899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.542899 (E_RNA) where: Base-Base interactions energy: -215.492 where: short stacking energy: -80.087 Base-Backbone interact. energy: -0.934 local terms energy: -89.116506 where: bonds (distance) C4'-P energy: -17.045 bonds (distance) P-C4' energy: -24.094 flat angles C4'-P-C4' energy: -16.293 flat angles P-C4'-P energy: -16.235 tors. eta vs tors. theta energy: -15.448 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: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -243.943158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.943158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.943158 (E_RNA) where: Base-Base interactions energy: -143.051 where: short stacking energy: -70.435 Base-Backbone interact. energy: -0.959 local terms energy: -99.932626 where: bonds (distance) C4'-P energy: -20.653 bonds (distance) P-C4' energy: -27.099 flat angles C4'-P-C4' energy: -26.257 flat angles P-C4'-P energy: -14.013 tors. eta vs tors. theta energy: -11.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -210.656198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.656198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.656198 (E_RNA) where: Base-Base interactions energy: -129.222 where: short stacking energy: -62.085 Base-Backbone interact. energy: 0.122 local terms energy: -81.556453 where: bonds (distance) C4'-P energy: -21.720 bonds (distance) P-C4' energy: -22.908 flat angles C4'-P-C4' energy: -17.101 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -10.489 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: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -182.591823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.591823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.591823 (E_RNA) where: Base-Base interactions energy: -93.656 where: short stacking energy: -51.220 Base-Backbone interact. energy: -0.470 local terms energy: -88.466274 where: bonds (distance) C4'-P energy: -23.560 bonds (distance) P-C4' energy: -23.662 flat angles C4'-P-C4' energy: -21.954 flat angles P-C4'-P energy: -17.918 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -120.402173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.402173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.402173 (E_RNA) where: Base-Base interactions energy: -45.658 where: short stacking energy: -35.820 Base-Backbone interact. energy: 0.139 local terms energy: -74.883410 where: bonds (distance) C4'-P energy: -21.206 bonds (distance) P-C4' energy: -24.424 flat angles C4'-P-C4' energy: -16.210 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -365.691112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.691112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.691112 (E_RNA) where: Base-Base interactions energy: -243.498 where: short stacking energy: -127.076 Base-Backbone interact. energy: -0.007 local terms energy: -122.186243 where: bonds (distance) C4'-P energy: -20.047 bonds (distance) P-C4' energy: -25.493 flat angles C4'-P-C4' energy: -20.472 flat angles P-C4'-P energy: -23.183 tors. eta vs tors. theta energy: -32.991 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: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -408.890448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.890448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.890448 (E_RNA) where: Base-Base interactions energy: -282.235 where: short stacking energy: -124.245 Base-Backbone interact. energy: -0.046 local terms energy: -126.609197 where: bonds (distance) C4'-P energy: -22.373 bonds (distance) P-C4' energy: -19.113 flat angles C4'-P-C4' energy: -29.232 flat angles P-C4'-P energy: -17.341 tors. eta vs tors. theta energy: -38.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -367.127474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.127474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.127474 (E_RNA) where: Base-Base interactions energy: -249.442 where: short stacking energy: -112.324 Base-Backbone interact. energy: -0.146 local terms energy: -117.539073 where: bonds (distance) C4'-P energy: -26.702 bonds (distance) P-C4' energy: -23.990 flat angles C4'-P-C4' energy: -22.539 flat angles P-C4'-P energy: -14.147 tors. eta vs tors. theta energy: -30.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -387.024401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.024401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.024401 (E_RNA) where: Base-Base interactions energy: -270.705 where: short stacking energy: -106.950 Base-Backbone interact. energy: -0.463 local terms energy: -115.856359 where: bonds (distance) C4'-P energy: -26.323 bonds (distance) P-C4' energy: -26.539 flat angles C4'-P-C4' energy: -23.353 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -30.162 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: 5, replica: 9 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -292.144114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.144114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.144114 (E_RNA) where: Base-Base interactions energy: -186.916 where: short stacking energy: -82.021 Base-Backbone interact. energy: -0.097 local terms energy: -105.130873 where: bonds (distance) C4'-P energy: -23.702 bonds (distance) P-C4' energy: -22.673 flat angles C4'-P-C4' energy: -18.168 flat angles P-C4'-P energy: -16.233 tors. eta vs tors. theta energy: -24.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -264.520772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.520772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.520772 (E_RNA) where: Base-Base interactions energy: -167.100 where: short stacking energy: -89.835 Base-Backbone interact. energy: -0.081 local terms energy: -97.339210 where: bonds (distance) C4'-P energy: -27.203 bonds (distance) P-C4' energy: -18.716 flat angles C4'-P-C4' energy: -18.723 flat angles P-C4'-P energy: -15.751 tors. eta vs tors. theta energy: -16.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -299.053654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.053654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.053654 (E_RNA) where: Base-Base interactions energy: -208.982 where: short stacking energy: -78.939 Base-Backbone interact. energy: -0.433 local terms energy: -89.638562 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -22.989 flat angles C4'-P-C4' energy: -25.265 flat angles P-C4'-P energy: -9.561 tors. eta vs tors. theta energy: -17.315 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: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -208.902142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.902142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.902142 (E_RNA) where: Base-Base interactions energy: -128.303 where: short stacking energy: -59.215 Base-Backbone interact. energy: -0.895 local terms energy: -79.703732 where: bonds (distance) C4'-P energy: -18.532 bonds (distance) P-C4' energy: -22.997 flat angles C4'-P-C4' energy: -16.512 flat angles P-C4'-P energy: -15.298 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: 9, replica: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -205.227670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.227670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.227670 (E_RNA) where: Base-Base interactions energy: -117.923 where: short stacking energy: -61.341 Base-Backbone interact. energy: -0.325 local terms energy: -86.979921 where: bonds (distance) C4'-P energy: -23.006 bonds (distance) P-C4' energy: -22.032 flat angles C4'-P-C4' energy: -26.099 flat angles P-C4'-P energy: -12.452 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -138.950788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.950788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.950788 (E_RNA) where: Base-Base interactions energy: -68.683 where: short stacking energy: -38.481 Base-Backbone interact. energy: -1.137 local terms energy: -69.131070 where: bonds (distance) C4'-P energy: -21.151 bonds (distance) P-C4' energy: -18.703 flat angles C4'-P-C4' energy: -15.882 flat angles P-C4'-P energy: -14.780 tors. eta vs tors. theta energy: 1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -394.341942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.341942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.341942 (E_RNA) where: Base-Base interactions energy: -270.291 where: short stacking energy: -118.127 Base-Backbone interact. energy: -0.005 local terms energy: -124.045653 where: bonds (distance) C4'-P energy: -20.831 bonds (distance) P-C4' energy: -22.376 flat angles C4'-P-C4' energy: -26.378 flat angles P-C4'-P energy: -19.185 tors. eta vs tors. theta energy: -35.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -368.894765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.894765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.894765 (E_RNA) where: Base-Base interactions energy: -247.566 where: short stacking energy: -122.657 Base-Backbone interact. energy: -0.460 local terms energy: -120.869171 where: bonds (distance) C4'-P energy: -25.246 bonds (distance) P-C4' energy: -18.464 flat angles C4'-P-C4' energy: -25.668 flat angles P-C4'-P energy: -17.484 tors. eta vs tors. theta energy: -34.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -394.572758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.572758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.572758 (E_RNA) where: Base-Base interactions energy: -275.264 where: short stacking energy: -115.870 Base-Backbone interact. energy: -0.082 local terms energy: -119.227317 where: bonds (distance) C4'-P energy: -24.199 bonds (distance) P-C4' energy: -22.343 flat angles C4'-P-C4' energy: -24.411 flat angles P-C4'-P energy: -14.387 tors. eta vs tors. theta energy: -33.888 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: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -359.769235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.769235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.769235 (E_RNA) where: Base-Base interactions energy: -242.424 where: short stacking energy: -103.129 Base-Backbone interact. energy: -0.106 local terms energy: -117.239580 where: bonds (distance) C4'-P energy: -26.380 bonds (distance) P-C4' energy: -21.697 flat angles C4'-P-C4' energy: -24.992 flat angles P-C4'-P energy: -14.310 tors. eta vs tors. theta energy: -29.860 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: 9 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -347.998091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.998091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.998091 (E_RNA) where: Base-Base interactions energy: -232.067 where: short stacking energy: -93.267 Base-Backbone interact. energy: 0.367 local terms energy: -116.298826 where: bonds (distance) C4'-P energy: -24.758 bonds (distance) P-C4' energy: -19.892 flat angles C4'-P-C4' energy: -26.025 flat angles P-C4'-P energy: -19.462 tors. eta vs tors. theta energy: -26.161 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: 10 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -263.858380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.858380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.858380 (E_RNA) where: Base-Base interactions energy: -169.723 where: short stacking energy: -79.810 Base-Backbone interact. energy: -0.227 local terms energy: -93.908455 where: bonds (distance) C4'-P energy: -18.139 bonds (distance) P-C4' energy: -18.723 flat angles C4'-P-C4' energy: -22.314 flat angles P-C4'-P energy: -19.463 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -288.542105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.542105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.542105 (E_RNA) where: Base-Base interactions energy: -209.489 where: short stacking energy: -72.056 Base-Backbone interact. energy: -1.599 local terms energy: -77.454424 where: bonds (distance) C4'-P energy: -22.817 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -18.340 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -13.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -203.531569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.531569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.531569 (E_RNA) where: Base-Base interactions energy: -117.815 where: short stacking energy: -51.176 Base-Backbone interact. energy: -0.462 local terms energy: -85.254015 where: bonds (distance) C4'-P energy: -22.344 bonds (distance) P-C4' energy: -19.136 flat angles C4'-P-C4' energy: -21.426 flat angles P-C4'-P energy: -16.497 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: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -216.958112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.958112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.958112 (E_RNA) where: Base-Base interactions energy: -120.407 where: short stacking energy: -63.811 Base-Backbone interact. energy: -1.008 local terms energy: -95.543245 where: bonds (distance) C4'-P energy: -23.345 bonds (distance) P-C4' energy: -24.011 flat angles C4'-P-C4' energy: -22.577 flat angles P-C4'-P energy: -19.257 tors. eta vs tors. theta energy: -6.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -157.701085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.701085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.701085 (E_RNA) where: Base-Base interactions energy: -79.708 where: short stacking energy: -39.735 Base-Backbone interact. energy: 0.806 local terms energy: -78.798686 where: bonds (distance) C4'-P energy: -21.333 bonds (distance) P-C4' energy: -20.926 flat angles C4'-P-C4' energy: -18.267 flat angles P-C4'-P energy: -12.862 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: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -403.138806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.138806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.138806 (E_RNA) where: Base-Base interactions energy: -280.497 where: short stacking energy: -129.659 Base-Backbone interact. energy: -0.310 local terms energy: -122.331817 where: bonds (distance) C4'-P energy: -22.201 bonds (distance) P-C4' energy: -21.543 flat angles C4'-P-C4' energy: -27.959 flat angles P-C4'-P energy: -15.450 tors. eta vs tors. theta energy: -35.179 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: 2 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -400.599556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.599556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.599556 (E_RNA) where: Base-Base interactions energy: -270.398 where: short stacking energy: -119.366 Base-Backbone interact. energy: -1.735 local terms energy: -128.466295 where: bonds (distance) C4'-P energy: -23.917 bonds (distance) P-C4' energy: -23.878 flat angles C4'-P-C4' energy: -26.879 flat angles P-C4'-P energy: -18.552 tors. eta vs tors. theta energy: -35.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -352.713581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.713581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.713581 (E_RNA) where: Base-Base interactions energy: -225.221 where: short stacking energy: -113.184 Base-Backbone interact. energy: -1.698 local terms energy: -125.794742 where: bonds (distance) C4'-P energy: -23.007 bonds (distance) P-C4' energy: -25.522 flat angles C4'-P-C4' energy: -24.936 flat angles P-C4'-P energy: -18.533 tors. eta vs tors. theta energy: -33.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -334.556455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.556455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.556455 (E_RNA) where: Base-Base interactions energy: -225.602 where: short stacking energy: -97.098 Base-Backbone interact. energy: -0.756 local terms energy: -108.198360 where: bonds (distance) C4'-P energy: -22.195 bonds (distance) P-C4' energy: -24.595 flat angles C4'-P-C4' energy: -23.725 flat angles P-C4'-P energy: -12.987 tors. eta vs tors. theta energy: -24.697 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: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -353.856954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.856954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.856954 (E_RNA) where: Base-Base interactions energy: -243.180 where: short stacking energy: -108.352 Base-Backbone interact. energy: -0.145 local terms energy: -110.532142 where: bonds (distance) C4'-P energy: -22.369 bonds (distance) P-C4' energy: -20.595 flat angles C4'-P-C4' energy: -24.862 flat angles P-C4'-P energy: -18.039 tors. eta vs tors. theta energy: -24.667 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: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -330.934981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.934981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.934981 (E_RNA) where: Base-Base interactions energy: -225.314 where: short stacking energy: -88.494 Base-Backbone interact. energy: -0.760 local terms energy: -104.860283 where: bonds (distance) C4'-P energy: -19.104 bonds (distance) P-C4' energy: -23.467 flat angles C4'-P-C4' energy: -23.572 flat angles P-C4'-P energy: -18.983 tors. eta vs tors. theta energy: -19.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -259.062121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.062121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.062121 (E_RNA) where: Base-Base interactions energy: -160.972 where: short stacking energy: -86.353 Base-Backbone interact. energy: -0.333 local terms energy: -97.756479 where: bonds (distance) C4'-P energy: -27.295 bonds (distance) P-C4' energy: -21.558 flat angles C4'-P-C4' energy: -22.440 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -15.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -255.549367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.549367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.549367 (E_RNA) where: Base-Base interactions energy: -152.866 where: short stacking energy: -79.775 Base-Backbone interact. energy: -0.655 local terms energy: -102.028853 where: bonds (distance) C4'-P energy: -26.068 bonds (distance) P-C4' energy: -20.147 flat angles C4'-P-C4' energy: -21.785 flat angles P-C4'-P energy: -13.369 tors. eta vs tors. theta energy: -20.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -170.024864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.024864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.024864 (E_RNA) where: Base-Base interactions energy: -93.593 where: short stacking energy: -50.219 Base-Backbone interact. energy: -0.852 local terms energy: -75.579746 where: bonds (distance) C4'-P energy: -19.884 bonds (distance) P-C4' energy: -20.715 flat angles C4'-P-C4' energy: -18.756 flat angles P-C4'-P energy: -14.323 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -148.148765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.148765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.148765 (E_RNA) where: Base-Base interactions energy: -78.188 where: short stacking energy: -31.648 Base-Backbone interact. energy: -1.837 local terms energy: -68.123234 where: bonds (distance) C4'-P energy: -18.875 bonds (distance) P-C4' energy: -20.682 flat angles C4'-P-C4' energy: -22.716 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: 2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -409.967894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.967894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.967894 (E_RNA) where: Base-Base interactions energy: -285.076 where: short stacking energy: -123.426 Base-Backbone interact. energy: -0.136 local terms energy: -124.755792 where: bonds (distance) C4'-P energy: -23.222 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -26.328 flat angles P-C4'-P energy: -21.878 tors. eta vs tors. theta energy: -36.420 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: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -370.005492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.005492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.005492 (E_RNA) where: Base-Base interactions energy: -245.281 where: short stacking energy: -107.103 Base-Backbone interact. energy: -0.458 local terms energy: -124.266822 where: bonds (distance) C4'-P energy: -23.039 bonds (distance) P-C4' energy: -25.826 flat angles C4'-P-C4' energy: -24.042 flat angles P-C4'-P energy: -19.771 tors. eta vs tors. theta energy: -31.589 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: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -368.681050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.681050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.681050 (E_RNA) where: Base-Base interactions energy: -240.137 where: short stacking energy: -127.017 Base-Backbone interact. energy: -0.273 local terms energy: -128.270865 where: bonds (distance) C4'-P energy: -23.946 bonds (distance) P-C4' energy: -23.784 flat angles C4'-P-C4' energy: -25.140 flat angles P-C4'-P energy: -17.117 tors. eta vs tors. theta energy: -38.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -331.702394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.702394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.702394 (E_RNA) where: Base-Base interactions energy: -216.403 where: short stacking energy: -93.478 Base-Backbone interact. energy: -1.466 local terms energy: -113.833431 where: bonds (distance) C4'-P energy: -26.384 bonds (distance) P-C4' energy: -20.502 flat angles C4'-P-C4' energy: -26.667 flat angles P-C4'-P energy: -16.584 tors. eta vs tors. theta energy: -23.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -353.045484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.045484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.045484 (E_RNA) where: Base-Base interactions energy: -234.499 where: short stacking energy: -96.744 Base-Backbone interact. energy: 0.290 local terms energy: -118.836786 where: bonds (distance) C4'-P energy: -26.769 bonds (distance) P-C4' energy: -24.427 flat angles C4'-P-C4' energy: -20.336 flat angles P-C4'-P energy: -15.409 tors. eta vs tors. theta energy: -31.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -324.004912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.004912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.004912 (E_RNA) where: Base-Base interactions energy: -225.667 where: short stacking energy: -98.231 Base-Backbone interact. energy: -1.388 local terms energy: -96.949905 where: bonds (distance) C4'-P energy: -20.454 bonds (distance) P-C4' energy: -20.018 flat angles C4'-P-C4' energy: -20.554 flat angles P-C4'-P energy: -14.914 tors. eta vs tors. theta energy: -21.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -248.673772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.673772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.673772 (E_RNA) where: Base-Base interactions energy: -173.207 where: short stacking energy: -91.674 Base-Backbone interact. energy: -0.249 local terms energy: -75.218117 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -18.896 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -17.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -219.500801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.500801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.500801 (E_RNA) where: Base-Base interactions energy: -131.079 where: short stacking energy: -53.885 Base-Backbone interact. energy: -1.542 local terms energy: -86.880151 where: bonds (distance) C4'-P energy: -20.858 bonds (distance) P-C4' energy: -19.842 flat angles C4'-P-C4' energy: -22.207 flat angles P-C4'-P energy: -18.885 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -192.703498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.703498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.703498 (E_RNA) where: Base-Base interactions energy: -122.639 where: short stacking energy: -45.821 Base-Backbone interact. energy: -0.594 local terms energy: -69.471348 where: bonds (distance) C4'-P energy: -14.818 bonds (distance) P-C4' energy: -23.644 flat angles C4'-P-C4' energy: -22.692 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: 0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -110.754630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.754630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.754630 (E_RNA) where: Base-Base interactions energy: -39.602 where: short stacking energy: -38.305 Base-Backbone interact. energy: 0.241 local terms energy: -71.393234 where: bonds (distance) C4'-P energy: -18.550 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -18.721 flat angles P-C4'-P energy: -15.776 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -407.402825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.402825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.402825 (E_RNA) where: Base-Base interactions energy: -274.770 where: short stacking energy: -124.370 Base-Backbone interact. energy: -0.182 local terms energy: -132.450320 where: bonds (distance) C4'-P energy: -25.218 bonds (distance) P-C4' energy: -26.782 flat angles C4'-P-C4' energy: -24.671 flat angles P-C4'-P energy: -18.217 tors. eta vs tors. theta energy: -37.563 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: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -370.396254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.396254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.396254 (E_RNA) where: Base-Base interactions energy: -241.134 where: short stacking energy: -119.629 Base-Backbone interact. energy: -0.490 local terms energy: -128.771336 where: bonds (distance) C4'-P energy: -22.676 bonds (distance) P-C4' energy: -26.160 flat angles C4'-P-C4' energy: -25.586 flat angles P-C4'-P energy: -19.275 tors. eta vs tors. theta energy: -35.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -364.020084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.020084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.020084 (E_RNA) where: Base-Base interactions energy: -247.600 where: short stacking energy: -97.330 Base-Backbone interact. energy: -1.199 local terms energy: -115.221360 where: bonds (distance) C4'-P energy: -17.148 bonds (distance) P-C4' energy: -28.132 flat angles C4'-P-C4' energy: -23.115 flat angles P-C4'-P energy: -18.941 tors. eta vs tors. theta energy: -27.886 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: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -350.381768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.381768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.381768 (E_RNA) where: Base-Base interactions energy: -233.024 where: short stacking energy: -106.019 Base-Backbone interact. energy: -0.676 local terms energy: -116.681904 where: bonds (distance) C4'-P energy: -24.004 bonds (distance) P-C4' energy: -19.368 flat angles C4'-P-C4' energy: -23.377 flat angles P-C4'-P energy: -14.743 tors. eta vs tors. theta energy: -35.190 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: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -345.517793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.517793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.517793 (E_RNA) where: Base-Base interactions energy: -233.676 where: short stacking energy: -99.226 Base-Backbone interact. energy: -0.018 local terms energy: -111.823083 where: bonds (distance) C4'-P energy: -18.650 bonds (distance) P-C4' energy: -22.098 flat angles C4'-P-C4' energy: -21.562 flat angles P-C4'-P energy: -16.964 tors. eta vs tors. theta energy: -32.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -319.560883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.560883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.560883 (E_RNA) where: Base-Base interactions energy: -225.974 where: short stacking energy: -97.662 Base-Backbone interact. energy: -0.768 local terms energy: -92.818976 where: bonds (distance) C4'-P energy: -25.322 bonds (distance) P-C4' energy: -15.590 flat angles C4'-P-C4' energy: -20.545 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -27.017 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: 75 Temperature: 1.200000 Total energy: -239.143550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.143550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.143550 (E_RNA) where: Base-Base interactions energy: -144.299 where: short stacking energy: -80.761 Base-Backbone interact. energy: -0.084 local terms energy: -94.760546 where: bonds (distance) C4'-P energy: -23.541 bonds (distance) P-C4' energy: -20.077 flat angles C4'-P-C4' energy: -17.847 flat angles P-C4'-P energy: -17.622 tors. eta vs tors. theta energy: -15.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -286.336180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.336180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.336180 (E_RNA) where: Base-Base interactions energy: -193.869 where: short stacking energy: -85.733 Base-Backbone interact. energy: -0.545 local terms energy: -91.921868 where: bonds (distance) C4'-P energy: -20.456 bonds (distance) P-C4' energy: -25.032 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -20.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -206.109235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.109235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.109235 (E_RNA) where: Base-Base interactions energy: -124.703 where: short stacking energy: -59.221 Base-Backbone interact. energy: -0.845 local terms energy: -80.561381 where: bonds (distance) C4'-P energy: -21.496 bonds (distance) P-C4' energy: -21.675 flat angles C4'-P-C4' energy: -19.812 flat angles P-C4'-P energy: -16.703 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -139.377535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.377535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.377535 (E_RNA) where: Base-Base interactions energy: -50.894 where: short stacking energy: -49.635 Base-Backbone interact. energy: -1.146 local terms energy: -87.337732 where: bonds (distance) C4'-P energy: -23.088 bonds (distance) P-C4' energy: -26.122 flat angles C4'-P-C4' energy: -23.715 flat angles P-C4'-P energy: -9.213 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: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -406.563255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.563255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.563255 (E_RNA) where: Base-Base interactions energy: -276.958 where: short stacking energy: -123.665 Base-Backbone interact. energy: -0.497 local terms energy: -129.108037 where: bonds (distance) C4'-P energy: -21.954 bonds (distance) P-C4' energy: -22.787 flat angles C4'-P-C4' energy: -25.925 flat angles P-C4'-P energy: -23.221 tors. eta vs tors. theta energy: -35.221 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: 76 Temperature: 0.950000 Total energy: -360.771281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.771281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.771281 (E_RNA) where: Base-Base interactions energy: -244.498 where: short stacking energy: -119.007 Base-Backbone interact. energy: -0.115 local terms energy: -116.157899 where: bonds (distance) C4'-P energy: -14.706 bonds (distance) P-C4' energy: -27.418 flat angles C4'-P-C4' energy: -25.662 flat angles P-C4'-P energy: -13.567 tors. eta vs tors. theta energy: -34.805 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: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -359.987476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.987476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.987476 (E_RNA) where: Base-Base interactions energy: -247.598 where: short stacking energy: -103.060 Base-Backbone interact. energy: -0.147 local terms energy: -112.242355 where: bonds (distance) C4'-P energy: -23.501 bonds (distance) P-C4' energy: -20.346 flat angles C4'-P-C4' energy: -25.314 flat angles P-C4'-P energy: -17.077 tors. eta vs tors. theta energy: -26.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -360.526505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.526505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.526505 (E_RNA) where: Base-Base interactions energy: -237.781 where: short stacking energy: -105.209 Base-Backbone interact. energy: -0.159 local terms energy: -122.586234 where: bonds (distance) C4'-P energy: -21.890 bonds (distance) P-C4' energy: -27.174 flat angles C4'-P-C4' energy: -24.918 flat angles P-C4'-P energy: -22.719 tors. eta vs tors. theta energy: -25.885 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: 5, replica: 9 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -347.278831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.278831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.278831 (E_RNA) where: Base-Base interactions energy: -232.365 where: short stacking energy: -106.177 Base-Backbone interact. energy: -0.285 local terms energy: -114.629063 where: bonds (distance) C4'-P energy: -19.145 bonds (distance) P-C4' energy: -22.850 flat angles C4'-P-C4' energy: -26.881 flat angles P-C4'-P energy: -11.956 tors. eta vs tors. theta energy: -33.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -301.431241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.431241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.431241 (E_RNA) where: Base-Base interactions energy: -205.499 where: short stacking energy: -77.212 Base-Backbone interact. energy: -1.143 local terms energy: -94.789118 where: bonds (distance) C4'-P energy: -23.923 bonds (distance) P-C4' energy: -22.901 flat angles C4'-P-C4' energy: -18.644 flat angles P-C4'-P energy: -13.712 tors. eta vs tors. theta energy: -15.609 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: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -289.287196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.287196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.287196 (E_RNA) where: Base-Base interactions energy: -195.633 where: short stacking energy: -83.287 Base-Backbone interact. energy: 0.315 local terms energy: -93.969037 where: bonds (distance) C4'-P energy: -22.653 bonds (distance) P-C4' energy: -23.823 flat angles C4'-P-C4' energy: -19.849 flat angles P-C4'-P energy: -15.315 tors. eta vs tors. theta energy: -12.328 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: 76 Temperature: 1.250000 Total energy: -221.073968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.073968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.073968 (E_RNA) where: Base-Base interactions energy: -139.983 where: short stacking energy: -63.799 Base-Backbone interact. energy: -0.772 local terms energy: -80.318955 where: bonds (distance) C4'-P energy: -21.148 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -22.937 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -12.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -136.681464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.681464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.681464 (E_RNA) where: Base-Base interactions energy: -59.460 where: short stacking energy: -35.013 Base-Backbone interact. energy: -0.250 local terms energy: -76.971996 where: bonds (distance) C4'-P energy: -21.579 bonds (distance) P-C4' energy: -22.343 flat angles C4'-P-C4' energy: -25.207 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: 0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -246.049663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.049663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.049663 (E_RNA) where: Base-Base interactions energy: -151.844 where: short stacking energy: -80.739 Base-Backbone interact. energy: -0.452 local terms energy: -93.753876 where: bonds (distance) C4'-P energy: -20.704 bonds (distance) P-C4' energy: -23.145 flat angles C4'-P-C4' energy: -18.301 flat angles P-C4'-P energy: -11.000 tors. eta vs tors. theta energy: -20.604 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: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -415.516858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.516858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.516858 (E_RNA) where: Base-Base interactions energy: -286.282 where: short stacking energy: -133.617 Base-Backbone interact. energy: 0.191 local terms energy: -129.426306 where: bonds (distance) C4'-P energy: -23.477 bonds (distance) P-C4' energy: -23.242 flat angles C4'-P-C4' energy: -25.931 flat angles P-C4'-P energy: -19.430 tors. eta vs tors. theta energy: -37.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -363.610853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.610853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.610853 (E_RNA) where: Base-Base interactions energy: -235.191 where: short stacking energy: -109.252 Base-Backbone interact. energy: -0.589 local terms energy: -127.830649 where: bonds (distance) C4'-P energy: -23.404 bonds (distance) P-C4' energy: -22.629 flat angles C4'-P-C4' energy: -27.002 flat angles P-C4'-P energy: -19.721 tors. eta vs tors. theta energy: -35.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -353.200870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.200870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.200870 (E_RNA) where: Base-Base interactions energy: -237.145 where: short stacking energy: -107.308 Base-Backbone interact. energy: -2.067 local terms energy: -113.989255 where: bonds (distance) C4'-P energy: -24.845 bonds (distance) P-C4' energy: -22.399 flat angles C4'-P-C4' energy: -25.035 flat angles P-C4'-P energy: -14.346 tors. eta vs tors. theta energy: -27.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -353.897299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.897299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.897299 (E_RNA) where: Base-Base interactions energy: -237.556 where: short stacking energy: -92.816 Base-Backbone interact. energy: -0.362 local terms energy: -115.979106 where: bonds (distance) C4'-P energy: -22.158 bonds (distance) P-C4' energy: -23.740 flat angles C4'-P-C4' energy: -25.365 flat angles P-C4'-P energy: -16.349 tors. eta vs tors. theta energy: -28.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -366.644137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.644137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.644137 (E_RNA) where: Base-Base interactions energy: -250.986 where: short stacking energy: -106.068 Base-Backbone interact. energy: -0.436 local terms energy: -115.221523 where: bonds (distance) C4'-P energy: -20.837 bonds (distance) P-C4' energy: -17.389 flat angles C4'-P-C4' energy: -25.206 flat angles P-C4'-P energy: -18.682 tors. eta vs tors. theta energy: -33.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -285.501069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.501069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.501069 (E_RNA) where: Base-Base interactions energy: -205.430 where: short stacking energy: -80.349 Base-Backbone interact. energy: -0.491 local terms energy: -79.580320 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -17.604 flat angles C4'-P-C4' energy: -24.466 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -16.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -287.161893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.161893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.161893 (E_RNA) where: Base-Base interactions energy: -193.158 where: short stacking energy: -71.407 Base-Backbone interact. energy: -1.039 local terms energy: -92.965671 where: bonds (distance) C4'-P energy: -22.268 bonds (distance) P-C4' energy: -24.604 flat angles C4'-P-C4' energy: -23.316 flat angles P-C4'-P energy: -13.783 tors. eta vs tors. theta energy: -8.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -204.876030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.876030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.876030 (E_RNA) where: Base-Base interactions energy: -115.327 where: short stacking energy: -61.297 Base-Backbone interact. energy: -0.528 local terms energy: -89.021128 where: bonds (distance) C4'-P energy: -25.205 bonds (distance) P-C4' energy: -18.923 flat angles C4'-P-C4' energy: -19.003 flat angles P-C4'-P energy: -13.736 tors. eta vs tors. theta energy: -12.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -134.137564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.137564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.137564 (E_RNA) where: Base-Base interactions energy: -58.137 where: short stacking energy: -48.833 Base-Backbone interact. energy: -0.426 local terms energy: -75.574616 where: bonds (distance) C4'-P energy: -19.498 bonds (distance) P-C4' energy: -17.874 flat angles C4'-P-C4' energy: -18.883 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -13.915 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: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -203.177318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.177318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.177318 (E_RNA) where: Base-Base interactions energy: -113.734 where: short stacking energy: -61.539 Base-Backbone interact. energy: -0.744 local terms energy: -88.699162 where: bonds (distance) C4'-P energy: -20.584 bonds (distance) P-C4' energy: -21.220 flat angles C4'-P-C4' energy: -22.090 flat angles P-C4'-P energy: -13.548 tors. eta vs tors. theta energy: -11.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -408.881791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.881791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.881791 (E_RNA) where: Base-Base interactions energy: -275.995 where: short stacking energy: -124.273 Base-Backbone interact. energy: -1.866 local terms energy: -131.020679 where: bonds (distance) C4'-P energy: -27.018 bonds (distance) P-C4' energy: -22.453 flat angles C4'-P-C4' energy: -24.540 flat angles P-C4'-P energy: -21.185 tors. eta vs tors. theta energy: -35.825 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: 2, replica: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -365.632073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.632073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.632073 (E_RNA) where: Base-Base interactions energy: -239.615 where: short stacking energy: -117.946 Base-Backbone interact. energy: -0.162 local terms energy: -125.855068 where: bonds (distance) C4'-P energy: -24.030 bonds (distance) P-C4' energy: -21.753 flat angles C4'-P-C4' energy: -28.791 flat angles P-C4'-P energy: -15.841 tors. eta vs tors. theta energy: -35.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -368.180591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.180591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.180591 (E_RNA) where: Base-Base interactions energy: -255.352 where: short stacking energy: -103.365 Base-Backbone interact. energy: -0.829 local terms energy: -112.000232 where: bonds (distance) C4'-P energy: -25.758 bonds (distance) P-C4' energy: -21.974 flat angles C4'-P-C4' energy: -23.568 flat angles P-C4'-P energy: -12.587 tors. eta vs tors. theta energy: -28.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -340.589949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.589949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.589949 (E_RNA) where: Base-Base interactions energy: -226.829 where: short stacking energy: -95.212 Base-Backbone interact. energy: -0.818 local terms energy: -112.942926 where: bonds (distance) C4'-P energy: -23.429 bonds (distance) P-C4' energy: -26.046 flat angles C4'-P-C4' energy: -24.852 flat angles P-C4'-P energy: -16.393 tors. eta vs tors. theta energy: -22.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -371.754119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.754119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.754119 (E_RNA) where: Base-Base interactions energy: -261.373 where: short stacking energy: -105.660 Base-Backbone interact. energy: -0.322 local terms energy: -110.059641 where: bonds (distance) C4'-P energy: -19.305 bonds (distance) P-C4' energy: -18.266 flat angles C4'-P-C4' energy: -24.479 flat angles P-C4'-P energy: -21.981 tors. eta vs tors. theta energy: -26.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -243.042619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.042619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.042619 (E_RNA) where: Base-Base interactions energy: -152.084 where: short stacking energy: -63.923 Base-Backbone interact. energy: -1.043 local terms energy: -89.915456 where: bonds (distance) C4'-P energy: -28.532 bonds (distance) P-C4' energy: -19.420 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -15.901 tors. eta vs tors. theta energy: -12.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -290.177982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.177982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.177982 (E_RNA) where: Base-Base interactions energy: -201.134 where: short stacking energy: -76.877 Base-Backbone interact. energy: -0.921 local terms energy: -88.123301 where: bonds (distance) C4'-P energy: -23.506 bonds (distance) P-C4' energy: -24.100 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -13.283 tors. eta vs tors. theta energy: -12.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -206.552922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.552922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.552922 (E_RNA) where: Base-Base interactions energy: -126.431 where: short stacking energy: -61.761 Base-Backbone interact. energy: -0.708 local terms energy: -79.413328 where: bonds (distance) C4'-P energy: -20.960 bonds (distance) P-C4' energy: -22.232 flat angles C4'-P-C4' energy: -20.870 flat angles P-C4'-P energy: -11.703 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: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -191.846535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.846535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.846535 (E_RNA) where: Base-Base interactions energy: -119.761 where: short stacking energy: -53.132 Base-Backbone interact. energy: 0.699 local terms energy: -72.784860 where: bonds (distance) C4'-P energy: -17.645 bonds (distance) P-C4' energy: -21.901 flat angles C4'-P-C4' energy: -20.736 flat angles P-C4'-P energy: -9.688 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: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -152.182620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.182620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.182620 (E_RNA) where: Base-Base interactions energy: -85.223 where: short stacking energy: -49.838 Base-Backbone interact. energy: 0.658 local terms energy: -67.617280 where: bonds (distance) C4'-P energy: -19.617 bonds (distance) P-C4' energy: -18.759 flat angles C4'-P-C4' energy: -20.769 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -410.898752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.898752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.898752 (E_RNA) where: Base-Base interactions energy: -274.791 where: short stacking energy: -129.551 Base-Backbone interact. energy: -0.419 local terms energy: -135.688206 where: bonds (distance) C4'-P energy: -21.805 bonds (distance) P-C4' energy: -25.399 flat angles C4'-P-C4' energy: -29.702 flat angles P-C4'-P energy: -19.297 tors. eta vs tors. theta energy: -39.486 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: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -395.703732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.703732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.703732 (E_RNA) where: Base-Base interactions energy: -277.330 where: short stacking energy: -108.842 Base-Backbone interact. energy: -0.069 local terms energy: -118.304834 where: bonds (distance) C4'-P energy: -18.396 bonds (distance) P-C4' energy: -28.633 flat angles C4'-P-C4' energy: -25.473 flat angles P-C4'-P energy: -14.275 tors. eta vs tors. theta energy: -31.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -344.872190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.872190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.872190 (E_RNA) where: Base-Base interactions energy: -228.895 where: short stacking energy: -116.883 Base-Backbone interact. energy: 0.938 local terms energy: -116.915327 where: bonds (distance) C4'-P energy: -17.893 bonds (distance) P-C4' energy: -22.360 flat angles C4'-P-C4' energy: -22.072 flat angles P-C4'-P energy: -19.937 tors. eta vs tors. theta energy: -34.654 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: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -371.111220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.111220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.111220 (E_RNA) where: Base-Base interactions energy: -261.641 where: short stacking energy: -113.203 Base-Backbone interact. energy: -0.027 local terms energy: -109.443318 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -23.663 flat angles C4'-P-C4' energy: -22.107 flat angles P-C4'-P energy: -15.432 tors. eta vs tors. theta energy: -33.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -328.978773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.978773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.978773 (E_RNA) where: Base-Base interactions energy: -213.718 where: short stacking energy: -93.007 Base-Backbone interact. energy: -0.953 local terms energy: -114.307761 where: bonds (distance) C4'-P energy: -24.399 bonds (distance) P-C4' energy: -21.718 flat angles C4'-P-C4' energy: -23.843 flat angles P-C4'-P energy: -19.914 tors. eta vs tors. theta energy: -24.434 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: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -293.832608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.832608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.832608 (E_RNA) where: Base-Base interactions energy: -199.678 where: short stacking energy: -79.420 Base-Backbone interact. energy: -1.180 local terms energy: -92.974860 where: bonds (distance) C4'-P energy: -22.352 bonds (distance) P-C4' energy: -20.355 flat angles C4'-P-C4' energy: -18.707 flat angles P-C4'-P energy: -11.582 tors. eta vs tors. theta energy: -19.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -242.529775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.529775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.529775 (E_RNA) where: Base-Base interactions energy: -145.099 where: short stacking energy: -71.230 Base-Backbone interact. energy: -1.224 local terms energy: -96.207421 where: bonds (distance) C4'-P energy: -27.334 bonds (distance) P-C4' energy: -20.207 flat angles C4'-P-C4' energy: -16.791 flat angles P-C4'-P energy: -15.464 tors. eta vs tors. theta energy: -16.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -238.592608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.592608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.592608 (E_RNA) where: Base-Base interactions energy: -156.869 where: short stacking energy: -82.523 Base-Backbone interact. energy: -0.089 local terms energy: -81.635072 where: bonds (distance) C4'-P energy: -24.945 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -16.696 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -14.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -191.411962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.411962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.411962 (E_RNA) where: Base-Base interactions energy: -119.748 where: short stacking energy: -60.477 Base-Backbone interact. energy: -1.006 local terms energy: -70.658028 where: bonds (distance) C4'-P energy: -17.666 bonds (distance) P-C4' energy: -26.005 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -9.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -148.328673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.328673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.328673 (E_RNA) where: Base-Base interactions energy: -72.395 where: short stacking energy: -41.503 Base-Backbone interact. energy: -0.524 local terms energy: -75.409480 where: bonds (distance) C4'-P energy: -24.955 bonds (distance) P-C4' energy: -21.943 flat angles C4'-P-C4' energy: -18.141 flat angles P-C4'-P energy: -9.435 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -418.505034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.505034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.505034 (E_RNA) where: Base-Base interactions energy: -283.545 where: short stacking energy: -123.071 Base-Backbone interact. energy: -1.249 local terms energy: -133.710738 where: bonds (distance) C4'-P energy: -19.859 bonds (distance) P-C4' energy: -28.887 flat angles C4'-P-C4' energy: -28.666 flat angles P-C4'-P energy: -20.014 tors. eta vs tors. theta energy: -36.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -374.413243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.413243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.413243 (E_RNA) where: Base-Base interactions energy: -251.387 where: short stacking energy: -116.013 Base-Backbone interact. energy: 0.672 local terms energy: -123.697721 where: bonds (distance) C4'-P energy: -25.995 bonds (distance) P-C4' energy: -23.601 flat angles C4'-P-C4' energy: -24.797 flat angles P-C4'-P energy: -18.253 tors. eta vs tors. theta energy: -31.052 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: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -365.541047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.541047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.541047 (E_RNA) where: Base-Base interactions energy: -241.050 where: short stacking energy: -106.829 Base-Backbone interact. energy: -0.672 local terms energy: -123.818574 where: bonds (distance) C4'-P energy: -26.792 bonds (distance) P-C4' energy: -21.127 flat angles C4'-P-C4' energy: -23.312 flat angles P-C4'-P energy: -18.611 tors. eta vs tors. theta energy: -33.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -366.604801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.604801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.604801 (E_RNA) where: Base-Base interactions energy: -248.086 where: short stacking energy: -125.637 Base-Backbone interact. energy: 0.957 local terms energy: -119.475459 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -22.719 flat angles C4'-P-C4' energy: -28.884 flat angles P-C4'-P energy: -17.719 tors. eta vs tors. theta energy: -35.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -334.854236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.854236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.854236 (E_RNA) where: Base-Base interactions energy: -226.486 where: short stacking energy: -93.283 Base-Backbone interact. energy: -1.195 local terms energy: -107.173442 where: bonds (distance) C4'-P energy: -19.743 bonds (distance) P-C4' energy: -23.256 flat angles C4'-P-C4' energy: -25.037 flat angles P-C4'-P energy: -14.987 tors. eta vs tors. theta energy: -24.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -321.526797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.526797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.526797 (E_RNA) where: Base-Base interactions energy: -216.818 where: short stacking energy: -89.556 Base-Backbone interact. energy: -0.641 local terms energy: -104.067638 where: bonds (distance) C4'-P energy: -17.636 bonds (distance) P-C4' energy: -24.002 flat angles C4'-P-C4' energy: -20.405 flat angles P-C4'-P energy: -19.511 tors. eta vs tors. theta energy: -22.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -257.912282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.912282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.912282 (E_RNA) where: Base-Base interactions energy: -160.190 where: short stacking energy: -88.002 Base-Backbone interact. energy: -0.107 local terms energy: -97.614884 where: bonds (distance) C4'-P energy: -18.087 bonds (distance) P-C4' energy: -25.782 flat angles C4'-P-C4' energy: -22.066 flat angles P-C4'-P energy: -14.365 tors. eta vs tors. theta energy: -17.315 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: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -225.128972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.128972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.128972 (E_RNA) where: Base-Base interactions energy: -141.093 where: short stacking energy: -73.350 Base-Backbone interact. energy: -0.202 local terms energy: -83.834482 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.747 flat angles C4'-P-C4' energy: -17.964 flat angles P-C4'-P energy: -9.482 tors. eta vs tors. theta energy: -16.238 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: 80 Temperature: 1.300000 Total energy: -178.158985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.158985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.158985 (E_RNA) where: Base-Base interactions energy: -104.650 where: short stacking energy: -55.059 Base-Backbone interact. energy: 0.509 local terms energy: -74.017526 where: bonds (distance) C4'-P energy: -18.765 bonds (distance) P-C4' energy: -16.108 flat angles C4'-P-C4' energy: -16.969 flat angles P-C4'-P energy: -13.274 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -119.935763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.935763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.935763 (E_RNA) where: Base-Base interactions energy: -33.676 where: short stacking energy: -33.676 Base-Backbone interact. energy: -0.223 local terms energy: -86.036416 where: bonds (distance) C4'-P energy: -17.656 bonds (distance) P-C4' energy: -26.138 flat angles C4'-P-C4' energy: -21.997 flat angles P-C4'-P energy: -15.842 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: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -413.805744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.805744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.805744 (E_RNA) where: Base-Base interactions energy: -287.703 where: short stacking energy: -122.616 Base-Backbone interact. energy: -0.328 local terms energy: -125.774503 where: bonds (distance) C4'-P energy: -22.096 bonds (distance) P-C4' energy: -19.121 flat angles C4'-P-C4' energy: -28.616 flat angles P-C4'-P energy: -22.271 tors. eta vs tors. theta energy: -33.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -368.249118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.249118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.249118 (E_RNA) where: Base-Base interactions energy: -248.351 where: short stacking energy: -109.617 Base-Backbone interact. energy: 0.029 local terms energy: -119.926640 where: bonds (distance) C4'-P energy: -18.738 bonds (distance) P-C4' energy: -26.189 flat angles C4'-P-C4' energy: -25.968 flat angles P-C4'-P energy: -20.654 tors. eta vs tors. theta energy: -28.377 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: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -368.823172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.823172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.823172 (E_RNA) where: Base-Base interactions energy: -250.290 where: short stacking energy: -123.772 Base-Backbone interact. energy: 1.096 local terms energy: -119.628798 where: bonds (distance) C4'-P energy: -21.157 bonds (distance) P-C4' energy: -24.939 flat angles C4'-P-C4' energy: -24.486 flat angles P-C4'-P energy: -12.845 tors. eta vs tors. theta energy: -36.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -362.588072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.588072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.588072 (E_RNA) where: Base-Base interactions energy: -236.126 where: short stacking energy: -127.270 Base-Backbone interact. energy: -0.767 local terms energy: -125.694803 where: bonds (distance) C4'-P energy: -21.537 bonds (distance) P-C4' energy: -25.189 flat angles C4'-P-C4' energy: -26.050 flat angles P-C4'-P energy: -14.887 tors. eta vs tors. theta energy: -38.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -334.531546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.531546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.531546 (E_RNA) where: Base-Base interactions energy: -227.809 where: short stacking energy: -92.366 Base-Backbone interact. energy: -1.595 local terms energy: -105.127602 where: bonds (distance) C4'-P energy: -22.133 bonds (distance) P-C4' energy: -23.787 flat angles C4'-P-C4' energy: -22.339 flat angles P-C4'-P energy: -9.974 tors. eta vs tors. theta energy: -26.895 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: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -330.771712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.771712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.771712 (E_RNA) where: Base-Base interactions energy: -220.643 where: short stacking energy: -98.209 Base-Backbone interact. energy: -0.522 local terms energy: -109.606658 where: bonds (distance) C4'-P energy: -21.033 bonds (distance) P-C4' energy: -26.417 flat angles C4'-P-C4' energy: -22.548 flat angles P-C4'-P energy: -16.634 tors. eta vs tors. theta energy: -22.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -276.990366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.990366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.990366 (E_RNA) where: Base-Base interactions energy: -178.742 where: short stacking energy: -77.324 Base-Backbone interact. energy: -0.362 local terms energy: -97.886690 where: bonds (distance) C4'-P energy: -19.014 bonds (distance) P-C4' energy: -19.305 flat angles C4'-P-C4' energy: -25.255 flat angles P-C4'-P energy: -13.022 tors. eta vs tors. theta energy: -21.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -228.120704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.120704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.120704 (E_RNA) where: Base-Base interactions energy: -133.094 where: short stacking energy: -66.091 Base-Backbone interact. energy: -0.158 local terms energy: -94.868601 where: bonds (distance) C4'-P energy: -19.549 bonds (distance) P-C4' energy: -24.045 flat angles C4'-P-C4' energy: -21.792 flat angles P-C4'-P energy: -15.836 tors. eta vs tors. theta energy: -13.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -203.620032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.620032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.620032 (E_RNA) where: Base-Base interactions energy: -110.442 where: short stacking energy: -56.649 Base-Backbone interact. energy: -0.491 local terms energy: -92.686798 where: bonds (distance) C4'-P energy: -22.353 bonds (distance) P-C4' energy: -24.859 flat angles C4'-P-C4' energy: -22.952 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -11.259 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: 7 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -136.616376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.616376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.616376 (E_RNA) where: Base-Base interactions energy: -62.093 where: short stacking energy: -37.584 Base-Backbone interact. energy: -0.283 local terms energy: -74.240986 where: bonds (distance) C4'-P energy: -18.312 bonds (distance) P-C4' energy: -22.544 flat angles C4'-P-C4' energy: -16.265 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -7.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -419.094700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.094700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.094700 (E_RNA) where: Base-Base interactions energy: -283.500 where: short stacking energy: -118.377 Base-Backbone interact. energy: -2.009 local terms energy: -133.585056 where: bonds (distance) C4'-P energy: -25.992 bonds (distance) P-C4' energy: -23.251 flat angles C4'-P-C4' energy: -26.836 flat angles P-C4'-P energy: -21.343 tors. eta vs tors. theta energy: -36.164 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: 1 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -378.361705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.361705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.361705 (E_RNA) where: Base-Base interactions energy: -254.873 where: short stacking energy: -118.238 Base-Backbone interact. energy: -0.006 local terms energy: -123.482511 where: bonds (distance) C4'-P energy: -24.086 bonds (distance) P-C4' energy: -19.178 flat angles C4'-P-C4' energy: -25.877 flat angles P-C4'-P energy: -18.076 tors. eta vs tors. theta energy: -36.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -364.990530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.990530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.990530 (E_RNA) where: Base-Base interactions energy: -250.567 where: short stacking energy: -119.128 Base-Backbone interact. energy: -0.048 local terms energy: -114.375494 where: bonds (distance) C4'-P energy: -19.734 bonds (distance) P-C4' energy: -20.130 flat angles C4'-P-C4' energy: -22.828 flat angles P-C4'-P energy: -16.926 tors. eta vs tors. theta energy: -34.757 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: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -356.044620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.044620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.044620 (E_RNA) where: Base-Base interactions energy: -236.243 where: short stacking energy: -121.864 Base-Backbone interact. energy: -0.581 local terms energy: -119.220959 where: bonds (distance) C4'-P energy: -22.053 bonds (distance) P-C4' energy: -23.544 flat angles C4'-P-C4' energy: -25.714 flat angles P-C4'-P energy: -14.287 tors. eta vs tors. theta energy: -33.623 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: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -319.182490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.182490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.182490 (E_RNA) where: Base-Base interactions energy: -214.409 where: short stacking energy: -90.778 Base-Backbone interact. energy: -1.078 local terms energy: -103.695529 where: bonds (distance) C4'-P energy: -18.689 bonds (distance) P-C4' energy: -23.429 flat angles C4'-P-C4' energy: -21.745 flat angles P-C4'-P energy: -13.740 tors. eta vs tors. theta energy: -26.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -327.910970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.910970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.910970 (E_RNA) where: Base-Base interactions energy: -228.837 where: short stacking energy: -102.391 Base-Backbone interact. energy: -1.565 local terms energy: -97.509829 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -25.822 flat angles C4'-P-C4' energy: -26.559 flat angles P-C4'-P energy: -12.620 tors. eta vs tors. theta energy: -19.777 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: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -292.964555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.964555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.964555 (E_RNA) where: Base-Base interactions energy: -199.633 where: short stacking energy: -99.903 Base-Backbone interact. energy: -0.798 local terms energy: -92.533456 where: bonds (distance) C4'-P energy: -14.909 bonds (distance) P-C4' energy: -18.486 flat angles C4'-P-C4' energy: -22.728 flat angles P-C4'-P energy: -13.407 tors. eta vs tors. theta energy: -23.003 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: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -208.326206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.326206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.326206 (E_RNA) where: Base-Base interactions energy: -127.412 where: short stacking energy: -66.942 Base-Backbone interact. energy: 0.327 local terms energy: -81.241287 where: bonds (distance) C4'-P energy: -22.400 bonds (distance) P-C4' energy: -18.869 flat angles C4'-P-C4' energy: -17.183 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -13.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -205.896396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.896396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.896396 (E_RNA) where: Base-Base interactions energy: -122.986 where: short stacking energy: -60.746 Base-Backbone interact. energy: -0.728 local terms energy: -82.182302 where: bonds (distance) C4'-P energy: -18.014 bonds (distance) P-C4' energy: -23.356 flat angles C4'-P-C4' energy: -18.372 flat angles P-C4'-P energy: -14.028 tors. eta vs tors. theta energy: -8.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -176.695550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.695550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.695550 (E_RNA) where: Base-Base interactions energy: -110.218 where: short stacking energy: -44.941 Base-Backbone interact. energy: -2.528 local terms energy: -63.949576 where: bonds (distance) C4'-P energy: -17.889 bonds (distance) P-C4' energy: -18.481 flat angles C4'-P-C4' energy: -17.313 flat angles P-C4'-P energy: -11.614 tors. eta vs tors. theta energy: 1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -417.232536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.232536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.232536 (E_RNA) where: Base-Base interactions energy: -285.110 where: short stacking energy: -119.527 Base-Backbone interact. energy: -0.812 local terms energy: -131.310347 where: bonds (distance) C4'-P energy: -21.511 bonds (distance) P-C4' energy: -24.543 flat angles C4'-P-C4' energy: -27.554 flat angles P-C4'-P energy: -21.292 tors. eta vs tors. theta energy: -36.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -378.191984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.191984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.191984 (E_RNA) where: Base-Base interactions energy: -258.636 where: short stacking energy: -118.038 Base-Backbone interact. energy: 1.783 local terms energy: -121.339182 where: bonds (distance) C4'-P energy: -24.204 bonds (distance) P-C4' energy: -24.260 flat angles C4'-P-C4' energy: -22.024 flat angles P-C4'-P energy: -19.665 tors. eta vs tors. theta energy: -31.185 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: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -357.898752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.898752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.898752 (E_RNA) where: Base-Base interactions energy: -239.084 where: short stacking energy: -100.821 Base-Backbone interact. energy: -0.989 local terms energy: -117.825826 where: bonds (distance) C4'-P energy: -22.821 bonds (distance) P-C4' energy: -28.325 flat angles C4'-P-C4' energy: -27.511 flat angles P-C4'-P energy: -16.127 tors. eta vs tors. theta energy: -23.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -358.776639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.776639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.776639 (E_RNA) where: Base-Base interactions energy: -242.527 where: short stacking energy: -123.999 Base-Backbone interact. energy: -0.802 local terms energy: -115.447045 where: bonds (distance) C4'-P energy: -25.025 bonds (distance) P-C4' energy: -15.552 flat angles C4'-P-C4' energy: -23.772 flat angles P-C4'-P energy: -12.759 tors. eta vs tors. theta energy: -38.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -330.294658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.294658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.294658 (E_RNA) where: Base-Base interactions energy: -217.431 where: short stacking energy: -91.194 Base-Backbone interact. energy: -0.174 local terms energy: -112.689583 where: bonds (distance) C4'-P energy: -23.781 bonds (distance) P-C4' energy: -26.206 flat angles C4'-P-C4' energy: -22.517 flat angles P-C4'-P energy: -14.441 tors. eta vs tors. theta energy: -25.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -312.707168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.707168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.707168 (E_RNA) where: Base-Base interactions energy: -207.503 where: short stacking energy: -84.040 Base-Backbone interact. energy: -0.836 local terms energy: -104.368027 where: bonds (distance) C4'-P energy: -20.216 bonds (distance) P-C4' energy: -24.453 flat angles C4'-P-C4' energy: -25.676 flat angles P-C4'-P energy: -18.813 tors. eta vs tors. theta energy: -15.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -269.150971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.150971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.150971 (E_RNA) where: Base-Base interactions energy: -176.885 where: short stacking energy: -77.181 Base-Backbone interact. energy: -1.627 local terms energy: -90.639266 where: bonds (distance) C4'-P energy: -24.276 bonds (distance) P-C4' energy: -19.886 flat angles C4'-P-C4' energy: -20.537 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -15.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -189.779623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.779623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.779623 (E_RNA) where: Base-Base interactions energy: -109.903 where: short stacking energy: -57.687 Base-Backbone interact. energy: -1.071 local terms energy: -78.806203 where: bonds (distance) C4'-P energy: -18.392 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -23.446 flat angles P-C4'-P energy: -18.058 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: 9, replica: 5 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -224.497134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.497134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.497134 (E_RNA) where: Base-Base interactions energy: -136.565 where: short stacking energy: -74.889 Base-Backbone interact. energy: -0.867 local terms energy: -87.064997 where: bonds (distance) C4'-P energy: -21.412 bonds (distance) P-C4' energy: -24.757 flat angles C4'-P-C4' energy: -19.942 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -12.525 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: 83 Temperature: 1.350000 Total energy: -179.983436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.983436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.983436 (E_RNA) where: Base-Base interactions energy: -117.792 where: short stacking energy: -58.574 Base-Backbone interact. energy: 0.859 local terms energy: -63.050589 where: bonds (distance) C4'-P energy: -18.873 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -15.299 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -6.251 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: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -377.218243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.218243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.218243 (E_RNA) where: Base-Base interactions energy: -262.247 where: short stacking energy: -113.439 Base-Backbone interact. energy: 0.169 local terms energy: -115.140120 where: bonds (distance) C4'-P energy: -21.639 bonds (distance) P-C4' energy: -24.502 flat angles C4'-P-C4' energy: -20.491 flat angles P-C4'-P energy: -16.219 tors. eta vs tors. theta energy: -32.289 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: 84 Temperature: 0.950000 Total energy: -404.569641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.569641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.569641 (E_RNA) where: Base-Base interactions energy: -286.042 where: short stacking energy: -120.841 Base-Backbone interact. energy: 0.188 local terms energy: -118.715288 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -23.670 flat angles C4'-P-C4' energy: -27.129 flat angles P-C4'-P energy: -19.427 tors. eta vs tors. theta energy: -34.169 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: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -367.792769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.792769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.792769 (E_RNA) where: Base-Base interactions energy: -241.315 where: short stacking energy: -125.902 Base-Backbone interact. energy: -0.004 local terms energy: -126.473727 where: bonds (distance) C4'-P energy: -21.867 bonds (distance) P-C4' energy: -28.316 flat angles C4'-P-C4' energy: -26.327 flat angles P-C4'-P energy: -14.330 tors. eta vs tors. theta energy: -35.634 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: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -357.525127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.525127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.525127 (E_RNA) where: Base-Base interactions energy: -236.275 where: short stacking energy: -96.809 Base-Backbone interact. energy: -2.555 local terms energy: -118.694668 where: bonds (distance) C4'-P energy: -23.854 bonds (distance) P-C4' energy: -24.201 flat angles C4'-P-C4' energy: -24.329 flat angles P-C4'-P energy: -17.951 tors. eta vs tors. theta energy: -28.360 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: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -331.356007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.356007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.356007 (E_RNA) where: Base-Base interactions energy: -223.340 where: short stacking energy: -92.638 Base-Backbone interact. energy: -2.212 local terms energy: -105.803350 where: bonds (distance) C4'-P energy: -26.426 bonds (distance) P-C4' energy: -20.636 flat angles C4'-P-C4' energy: -23.997 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -24.216 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: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -308.073695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.073695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.073695 (E_RNA) where: Base-Base interactions energy: -205.539 where: short stacking energy: -80.879 Base-Backbone interact. energy: -0.145 local terms energy: -102.389278 where: bonds (distance) C4'-P energy: -17.692 bonds (distance) P-C4' energy: -26.424 flat angles C4'-P-C4' energy: -26.303 flat angles P-C4'-P energy: -16.557 tors. eta vs tors. theta energy: -15.415 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: 8 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -246.000457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.000457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.000457 (E_RNA) where: Base-Base interactions energy: -160.242 where: short stacking energy: -86.821 Base-Backbone interact. energy: -0.818 local terms energy: -84.939716 where: bonds (distance) C4'-P energy: -16.817 bonds (distance) P-C4' energy: -21.543 flat angles C4'-P-C4' energy: -19.112 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -18.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -192.592490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.592490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.592490 (E_RNA) where: Base-Base interactions energy: -107.641 where: short stacking energy: -47.476 Base-Backbone interact. energy: -1.041 local terms energy: -83.910918 where: bonds (distance) C4'-P energy: -21.263 bonds (distance) P-C4' energy: -22.836 flat angles C4'-P-C4' energy: -24.834 flat angles P-C4'-P energy: -13.796 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -196.087703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.087703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.087703 (E_RNA) where: Base-Base interactions energy: -113.563 where: short stacking energy: -60.236 Base-Backbone interact. energy: -0.413 local terms energy: -82.111313 where: bonds (distance) C4'-P energy: -19.727 bonds (distance) P-C4' energy: -15.783 flat angles C4'-P-C4' energy: -15.270 flat angles P-C4'-P energy: -17.140 tors. eta vs tors. theta energy: -14.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -219.546104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.546104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.546104 (E_RNA) where: Base-Base interactions energy: -136.530 where: short stacking energy: -68.722 Base-Backbone interact. energy: -0.206 local terms energy: -82.810139 where: bonds (distance) C4'-P energy: -23.044 bonds (distance) P-C4' energy: -18.369 flat angles C4'-P-C4' energy: -19.957 flat angles P-C4'-P energy: -11.046 tors. eta vs tors. theta energy: -10.394 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: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -393.615220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.615220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.615220 (E_RNA) where: Base-Base interactions energy: -270.534 where: short stacking energy: -115.134 Base-Backbone interact. energy: -0.811 local terms energy: -122.270213 where: bonds (distance) C4'-P energy: -22.310 bonds (distance) P-C4' energy: -20.470 flat angles C4'-P-C4' energy: -25.989 flat angles P-C4'-P energy: -22.353 tors. eta vs tors. theta energy: -31.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -394.710931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.710931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.710931 (E_RNA) where: Base-Base interactions energy: -261.314 where: short stacking energy: -112.589 Base-Backbone interact. energy: -0.784 local terms energy: -132.612477 where: bonds (distance) C4'-P energy: -23.883 bonds (distance) P-C4' energy: -29.707 flat angles C4'-P-C4' energy: -23.248 flat angles P-C4'-P energy: -19.318 tors. eta vs tors. theta energy: -36.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -372.664892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.664892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.664892 (E_RNA) where: Base-Base interactions energy: -241.890 where: short stacking energy: -118.627 Base-Backbone interact. energy: -0.224 local terms energy: -130.550969 where: bonds (distance) C4'-P energy: -19.976 bonds (distance) P-C4' energy: -23.545 flat angles C4'-P-C4' energy: -26.086 flat angles P-C4'-P energy: -23.057 tors. eta vs tors. theta energy: -37.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -329.228353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.228353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.228353 (E_RNA) where: Base-Base interactions energy: -227.986 where: short stacking energy: -106.051 Base-Backbone interact. energy: 0.602 local terms energy: -101.843877 where: bonds (distance) C4'-P energy: -16.188 bonds (distance) P-C4' energy: -20.783 flat angles C4'-P-C4' energy: -22.269 flat angles P-C4'-P energy: -17.814 tors. eta vs tors. theta energy: -24.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -340.485332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.485332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.485332 (E_RNA) where: Base-Base interactions energy: -225.902 where: short stacking energy: -104.015 Base-Backbone interact. energy: -0.057 local terms energy: -114.526589 where: bonds (distance) C4'-P energy: -24.011 bonds (distance) P-C4' energy: -25.064 flat angles C4'-P-C4' energy: -21.815 flat angles P-C4'-P energy: -12.932 tors. eta vs tors. theta energy: -30.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -315.271996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.271996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.271996 (E_RNA) where: Base-Base interactions energy: -217.301 where: short stacking energy: -89.544 Base-Backbone interact. energy: 2.261 local terms energy: -100.232358 where: bonds (distance) C4'-P energy: -18.523 bonds (distance) P-C4' energy: -19.188 flat angles C4'-P-C4' energy: -26.097 flat angles P-C4'-P energy: -19.311 tors. eta vs tors. theta energy: -17.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -259.850644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.850644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.850644 (E_RNA) where: Base-Base interactions energy: -165.736 where: short stacking energy: -82.715 Base-Backbone interact. energy: 1.460 local terms energy: -95.574379 where: bonds (distance) C4'-P energy: -23.846 bonds (distance) P-C4' energy: -17.825 flat angles C4'-P-C4' energy: -25.356 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -19.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -193.277771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.277771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.277771 (E_RNA) where: Base-Base interactions energy: -109.693 where: short stacking energy: -55.325 Base-Backbone interact. energy: -0.184 local terms energy: -83.400296 where: bonds (distance) C4'-P energy: -23.408 bonds (distance) P-C4' energy: -21.831 flat angles C4'-P-C4' energy: -19.465 flat angles P-C4'-P energy: -13.548 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -217.124114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.124114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.124114 (E_RNA) where: Base-Base interactions energy: -133.986 where: short stacking energy: -71.850 Base-Backbone interact. energy: -0.370 local terms energy: -82.767739 where: bonds (distance) C4'-P energy: -15.550 bonds (distance) P-C4' energy: -16.910 flat angles C4'-P-C4' energy: -18.578 flat angles P-C4'-P energy: -16.995 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -209.644027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.644027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.644027 (E_RNA) where: Base-Base interactions energy: -128.615 where: short stacking energy: -60.417 Base-Backbone interact. energy: -0.758 local terms energy: -80.271379 where: bonds (distance) C4'-P energy: -17.545 bonds (distance) P-C4' energy: -19.587 flat angles C4'-P-C4' energy: -18.993 flat angles P-C4'-P energy: -12.727 tors. eta vs tors. theta energy: -11.419 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: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -417.711347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.711347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.711347 (E_RNA) where: Base-Base interactions energy: -287.829 where: short stacking energy: -120.811 Base-Backbone interact. energy: -0.304 local terms energy: -129.579103 where: bonds (distance) C4'-P energy: -24.343 bonds (distance) P-C4' energy: -26.110 flat angles C4'-P-C4' energy: -27.721 flat angles P-C4'-P energy: -16.930 tors. eta vs tors. theta energy: -34.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -393.921221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.921221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.921221 (E_RNA) where: Base-Base interactions energy: -272.645 where: short stacking energy: -122.531 Base-Backbone interact. energy: -2.364 local terms energy: -118.912082 where: bonds (distance) C4'-P energy: -24.633 bonds (distance) P-C4' energy: -21.137 flat angles C4'-P-C4' energy: -27.403 flat angles P-C4'-P energy: -13.690 tors. eta vs tors. theta energy: -32.050 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: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -367.644297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.644297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.644297 (E_RNA) where: Base-Base interactions energy: -233.662 where: short stacking energy: -117.074 Base-Backbone interact. energy: -0.096 local terms energy: -133.885946 where: bonds (distance) C4'-P energy: -23.135 bonds (distance) P-C4' energy: -27.483 flat angles C4'-P-C4' energy: -28.657 flat angles P-C4'-P energy: -21.582 tors. eta vs tors. theta energy: -33.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -325.116628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.116628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.116628 (E_RNA) where: Base-Base interactions energy: -218.847 where: short stacking energy: -92.955 Base-Backbone interact. energy: -0.786 local terms energy: -105.483950 where: bonds (distance) C4'-P energy: -22.252 bonds (distance) P-C4' energy: -21.663 flat angles C4'-P-C4' energy: -22.351 flat angles P-C4'-P energy: -20.457 tors. eta vs tors. theta energy: -18.761 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: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -308.445470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.445470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.445470 (E_RNA) where: Base-Base interactions energy: -203.211 where: short stacking energy: -82.533 Base-Backbone interact. energy: 0.277 local terms energy: -105.511173 where: bonds (distance) C4'-P energy: -16.564 bonds (distance) P-C4' energy: -26.135 flat angles C4'-P-C4' energy: -25.397 flat angles P-C4'-P energy: -13.379 tors. eta vs tors. theta energy: -24.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -327.470305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.470305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.470305 (E_RNA) where: Base-Base interactions energy: -229.384 where: short stacking energy: -96.557 Base-Backbone interact. energy: 2.282 local terms energy: -100.368797 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -23.468 flat angles C4'-P-C4' energy: -21.258 flat angles P-C4'-P energy: -12.825 tors. eta vs tors. theta energy: -28.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -219.384868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.384868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.384868 (E_RNA) where: Base-Base interactions energy: -124.888 where: short stacking energy: -74.569 Base-Backbone interact. energy: -0.940 local terms energy: -93.557178 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -25.756 flat angles C4'-P-C4' energy: -24.648 flat angles P-C4'-P energy: -8.767 tors. eta vs tors. theta energy: -19.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -193.114995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.114995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.114995 (E_RNA) where: Base-Base interactions energy: -111.147 where: short stacking energy: -57.047 Base-Backbone interact. energy: -0.274 local terms energy: -81.693980 where: bonds (distance) C4'-P energy: -21.085 bonds (distance) P-C4' energy: -23.323 flat angles C4'-P-C4' energy: -18.974 flat angles P-C4'-P energy: -8.606 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: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -211.248471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.248471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.248471 (E_RNA) where: Base-Base interactions energy: -135.302 where: short stacking energy: -51.958 Base-Backbone interact. energy: 3.541 local terms energy: -79.486895 where: bonds (distance) C4'-P energy: -19.594 bonds (distance) P-C4' energy: -22.052 flat angles C4'-P-C4' energy: -23.181 flat angles P-C4'-P energy: -11.158 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: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -213.887820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.887820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.887820 (E_RNA) where: Base-Base interactions energy: -125.261 where: short stacking energy: -79.186 Base-Backbone interact. energy: -0.262 local terms energy: -88.364831 where: bonds (distance) C4'-P energy: -21.578 bonds (distance) P-C4' energy: -22.230 flat angles C4'-P-C4' energy: -12.558 flat angles P-C4'-P energy: -14.338 tors. eta vs tors. theta energy: -17.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -418.961984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.961984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.961984 (E_RNA) where: Base-Base interactions energy: -303.539 where: short stacking energy: -118.298 Base-Backbone interact. energy: -0.507 local terms energy: -114.916062 where: bonds (distance) C4'-P energy: -23.771 bonds (distance) P-C4' energy: -19.721 flat angles C4'-P-C4' energy: -25.653 flat angles P-C4'-P energy: -13.528 tors. eta vs tors. theta energy: -32.244 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: 87 Temperature: 0.950000 Total energy: -386.462094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.462094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.462094 (E_RNA) where: Base-Base interactions energy: -270.161 where: short stacking energy: -111.213 Base-Backbone interact. energy: -1.480 local terms energy: -114.821239 where: bonds (distance) C4'-P energy: -22.544 bonds (distance) P-C4' energy: -16.763 flat angles C4'-P-C4' energy: -25.275 flat angles P-C4'-P energy: -21.205 tors. eta vs tors. theta energy: -29.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -363.733809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.733809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.733809 (E_RNA) where: Base-Base interactions energy: -237.245 where: short stacking energy: -119.870 Base-Backbone interact. energy: -0.165 local terms energy: -126.323208 where: bonds (distance) C4'-P energy: -15.573 bonds (distance) P-C4' energy: -25.825 flat angles C4'-P-C4' energy: -28.257 flat angles P-C4'-P energy: -19.765 tors. eta vs tors. theta energy: -36.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -327.921509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.921509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.921509 (E_RNA) where: Base-Base interactions energy: -215.423 where: short stacking energy: -94.544 Base-Backbone interact. energy: 0.352 local terms energy: -112.851019 where: bonds (distance) C4'-P energy: -24.504 bonds (distance) P-C4' energy: -21.021 flat angles C4'-P-C4' energy: -25.548 flat angles P-C4'-P energy: -17.128 tors. eta vs tors. theta energy: -24.650 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: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -308.934933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.934933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.934933 (E_RNA) where: Base-Base interactions energy: -215.255 where: short stacking energy: -86.333 Base-Backbone interact. energy: -1.659 local terms energy: -92.020624 where: bonds (distance) C4'-P energy: -15.990 bonds (distance) P-C4' energy: -21.323 flat angles C4'-P-C4' energy: -22.548 flat angles P-C4'-P energy: -16.014 tors. eta vs tors. theta energy: -16.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -259.212476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.212476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.212476 (E_RNA) where: Base-Base interactions energy: -158.035 where: short stacking energy: -94.120 Base-Backbone interact. energy: -0.098 local terms energy: -101.079605 where: bonds (distance) C4'-P energy: -20.213 bonds (distance) P-C4' energy: -19.111 flat angles C4'-P-C4' energy: -24.321 flat angles P-C4'-P energy: -15.757 tors. eta vs tors. theta energy: -21.678 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: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -329.562461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.562461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.562461 (E_RNA) where: Base-Base interactions energy: -223.123 where: short stacking energy: -86.411 Base-Backbone interact. energy: 0.310 local terms energy: -106.750026 where: bonds (distance) C4'-P energy: -19.649 bonds (distance) P-C4' energy: -22.737 flat angles C4'-P-C4' energy: -23.823 flat angles P-C4'-P energy: -16.586 tors. eta vs tors. theta energy: -23.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -231.929432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.929432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.929432 (E_RNA) where: Base-Base interactions energy: -147.158 where: short stacking energy: -67.358 Base-Backbone interact. energy: -0.406 local terms energy: -84.365502 where: bonds (distance) C4'-P energy: -18.403 bonds (distance) P-C4' energy: -23.789 flat angles C4'-P-C4' energy: -18.313 flat angles P-C4'-P energy: -17.090 tors. eta vs tors. theta energy: -6.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -186.498598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.498598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.498598 (E_RNA) where: Base-Base interactions energy: -109.672 where: short stacking energy: -49.165 Base-Backbone interact. energy: -0.613 local terms energy: -76.213568 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -24.604 flat angles C4'-P-C4' energy: -16.364 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -11.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -240.429480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.429480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.429480 (E_RNA) where: Base-Base interactions energy: -155.819 where: short stacking energy: -61.177 Base-Backbone interact. energy: 1.964 local terms energy: -86.574160 where: bonds (distance) C4'-P energy: -18.680 bonds (distance) P-C4' energy: -23.202 flat angles C4'-P-C4' energy: -21.097 flat angles P-C4'-P energy: -12.518 tors. eta vs tors. theta energy: -11.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -424.748307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.748307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.748307 (E_RNA) where: Base-Base interactions energy: -296.636 where: short stacking energy: -123.189 Base-Backbone interact. energy: -0.265 local terms energy: -127.847678 where: bonds (distance) C4'-P energy: -24.998 bonds (distance) P-C4' energy: -26.029 flat angles C4'-P-C4' energy: -26.252 flat angles P-C4'-P energy: -14.670 tors. eta vs tors. theta energy: -35.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -385.463138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.463138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.463138 (E_RNA) where: Base-Base interactions energy: -266.037 where: short stacking energy: -115.476 Base-Backbone interact. energy: 0.041 local terms energy: -119.467325 where: bonds (distance) C4'-P energy: -26.208 bonds (distance) P-C4' energy: -21.685 flat angles C4'-P-C4' energy: -21.770 flat angles P-C4'-P energy: -19.341 tors. eta vs tors. theta energy: -30.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -344.120518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.120518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.120518 (E_RNA) where: Base-Base interactions energy: -222.341 where: short stacking energy: -102.843 Base-Backbone interact. energy: -1.583 local terms energy: -120.195996 where: bonds (distance) C4'-P energy: -26.727 bonds (distance) P-C4' energy: -26.928 flat angles C4'-P-C4' energy: -26.897 flat angles P-C4'-P energy: -14.492 tors. eta vs tors. theta energy: -25.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -341.454430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.454430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.454430 (E_RNA) where: Base-Base interactions energy: -229.315 where: short stacking energy: -110.952 Base-Backbone interact. energy: -0.194 local terms energy: -111.945792 where: bonds (distance) C4'-P energy: -16.768 bonds (distance) P-C4' energy: -17.993 flat angles C4'-P-C4' energy: -24.912 flat angles P-C4'-P energy: -18.263 tors. eta vs tors. theta energy: -34.011 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: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -330.449558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.449558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.449558 (E_RNA) where: Base-Base interactions energy: -225.842 where: short stacking energy: -92.730 Base-Backbone interact. energy: -1.286 local terms energy: -103.321545 where: bonds (distance) C4'-P energy: -19.224 bonds (distance) P-C4' energy: -24.629 flat angles C4'-P-C4' energy: -23.596 flat angles P-C4'-P energy: -16.995 tors. eta vs tors. theta energy: -18.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -284.457738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.457738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.457738 (E_RNA) where: Base-Base interactions energy: -180.371 where: short stacking energy: -87.508 Base-Backbone interact. energy: -0.777 local terms energy: -103.310267 where: bonds (distance) C4'-P energy: -19.581 bonds (distance) P-C4' energy: -22.091 flat angles C4'-P-C4' energy: -25.872 flat angles P-C4'-P energy: -13.964 tors. eta vs tors. theta energy: -21.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -333.624406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.624406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.624406 (E_RNA) where: Base-Base interactions energy: -228.530 where: short stacking energy: -99.857 Base-Backbone interact. energy: -1.239 local terms energy: -103.855714 where: bonds (distance) C4'-P energy: -17.176 bonds (distance) P-C4' energy: -17.867 flat angles C4'-P-C4' energy: -26.310 flat angles P-C4'-P energy: -16.529 tors. eta vs tors. theta energy: -25.973 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: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -238.536032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.536032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.536032 (E_RNA) where: Base-Base interactions energy: -155.106 where: short stacking energy: -81.894 Base-Backbone interact. energy: -0.106 local terms energy: -83.324669 where: bonds (distance) C4'-P energy: -18.281 bonds (distance) P-C4' energy: -19.571 flat angles C4'-P-C4' energy: -18.545 flat angles P-C4'-P energy: -11.346 tors. eta vs tors. theta energy: -15.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -184.198806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.198806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.198806 (E_RNA) where: Base-Base interactions energy: -98.444 where: short stacking energy: -58.577 Base-Backbone interact. energy: -0.772 local terms energy: -84.983187 where: bonds (distance) C4'-P energy: -23.829 bonds (distance) P-C4' energy: -18.769 flat angles C4'-P-C4' energy: -22.418 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -10.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -196.501996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.501996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.501996 (E_RNA) where: Base-Base interactions energy: -105.929 where: short stacking energy: -59.189 Base-Backbone interact. energy: -0.893 local terms energy: -89.679912 where: bonds (distance) C4'-P energy: -17.103 bonds (distance) P-C4' energy: -18.756 flat angles C4'-P-C4' energy: -19.752 flat angles P-C4'-P energy: -15.055 tors. eta vs tors. theta energy: -19.013 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: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -410.835362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.835362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.835362 (E_RNA) where: Base-Base interactions energy: -290.408 where: short stacking energy: -121.246 Base-Backbone interact. energy: -0.063 local terms energy: -120.364651 where: bonds (distance) C4'-P energy: -19.956 bonds (distance) P-C4' energy: -19.693 flat angles C4'-P-C4' energy: -29.836 flat angles P-C4'-P energy: -15.942 tors. eta vs tors. theta energy: -34.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -373.424313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.424313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.424313 (E_RNA) where: Base-Base interactions energy: -253.341 where: short stacking energy: -115.269 Base-Backbone interact. energy: -0.538 local terms energy: -119.545039 where: bonds (distance) C4'-P energy: -25.288 bonds (distance) P-C4' energy: -23.549 flat angles C4'-P-C4' energy: -23.406 flat angles P-C4'-P energy: -17.760 tors. eta vs tors. theta energy: -29.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -339.694493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.694493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.694493 (E_RNA) where: Base-Base interactions energy: -217.449 where: short stacking energy: -100.366 Base-Backbone interact. energy: -1.150 local terms energy: -121.095590 where: bonds (distance) C4'-P energy: -22.293 bonds (distance) P-C4' energy: -27.915 flat angles C4'-P-C4' energy: -25.405 flat angles P-C4'-P energy: -21.078 tors. eta vs tors. theta energy: -24.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -349.404200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.404200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.404200 (E_RNA) where: Base-Base interactions energy: -228.772 where: short stacking energy: -105.743 Base-Backbone interact. energy: -0.917 local terms energy: -119.715521 where: bonds (distance) C4'-P energy: -19.280 bonds (distance) P-C4' energy: -22.400 flat angles C4'-P-C4' energy: -27.560 flat angles P-C4'-P energy: -16.707 tors. eta vs tors. theta energy: -33.768 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: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -297.498033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.498033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.498033 (E_RNA) where: Base-Base interactions energy: -201.448 where: short stacking energy: -81.232 Base-Backbone interact. energy: 0.510 local terms energy: -96.560208 where: bonds (distance) C4'-P energy: -20.939 bonds (distance) P-C4' energy: -20.889 flat angles C4'-P-C4' energy: -23.382 flat angles P-C4'-P energy: -14.502 tors. eta vs tors. theta energy: -16.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -343.736364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.736364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.736364 (E_RNA) where: Base-Base interactions energy: -233.200 where: short stacking energy: -111.367 Base-Backbone interact. energy: -0.046 local terms energy: -110.490293 where: bonds (distance) C4'-P energy: -13.593 bonds (distance) P-C4' energy: -21.388 flat angles C4'-P-C4' energy: -23.395 flat angles P-C4'-P energy: -18.252 tors. eta vs tors. theta energy: -33.863 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: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -248.383294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.383294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.383294 (E_RNA) where: Base-Base interactions energy: -166.149 where: short stacking energy: -83.293 Base-Backbone interact. energy: 0.082 local terms energy: -82.316680 where: bonds (distance) C4'-P energy: -24.629 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -16.177 flat angles P-C4'-P energy: -16.717 tors. eta vs tors. theta energy: -12.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -224.364514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.364514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.364514 (E_RNA) where: Base-Base interactions energy: -139.989 where: short stacking energy: -71.878 Base-Backbone interact. energy: -0.531 local terms energy: -83.844155 where: bonds (distance) C4'-P energy: -17.007 bonds (distance) P-C4' energy: -22.087 flat angles C4'-P-C4' energy: -23.817 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -9.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -200.055298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.055298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.055298 (E_RNA) where: Base-Base interactions energy: -108.839 where: short stacking energy: -48.647 Base-Backbone interact. energy: 0.016 local terms energy: -91.232375 where: bonds (distance) C4'-P energy: -21.534 bonds (distance) P-C4' energy: -24.774 flat angles C4'-P-C4' energy: -16.589 flat angles P-C4'-P energy: -19.734 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: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -188.447732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.447732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.447732 (E_RNA) where: Base-Base interactions energy: -102.827 where: short stacking energy: -48.238 Base-Backbone interact. energy: 0.238 local terms energy: -85.858490 where: bonds (distance) C4'-P energy: -20.017 bonds (distance) P-C4' energy: -22.122 flat angles C4'-P-C4' energy: -18.628 flat angles P-C4'-P energy: -16.314 tors. eta vs tors. theta energy: -8.777 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: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -413.352392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.352392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.352392 (E_RNA) where: Base-Base interactions energy: -299.170 where: short stacking energy: -126.310 Base-Backbone interact. energy: -0.120 local terms energy: -114.062128 where: bonds (distance) C4'-P energy: -21.050 bonds (distance) P-C4' energy: -22.618 flat angles C4'-P-C4' energy: -23.564 flat angles P-C4'-P energy: -11.899 tors. eta vs tors. theta energy: -34.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -374.541949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.541949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.541949 (E_RNA) where: Base-Base interactions energy: -267.104 where: short stacking energy: -103.362 Base-Backbone interact. energy: -0.251 local terms energy: -107.187382 where: bonds (distance) C4'-P energy: -20.679 bonds (distance) P-C4' energy: -19.433 flat angles C4'-P-C4' energy: -25.539 flat angles P-C4'-P energy: -15.000 tors. eta vs tors. theta energy: -26.538 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: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -343.025076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.025076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.025076 (E_RNA) where: Base-Base interactions energy: -232.791 where: short stacking energy: -103.221 Base-Backbone interact. energy: -1.005 local terms energy: -109.228692 where: bonds (distance) C4'-P energy: -21.917 bonds (distance) P-C4' energy: -22.328 flat angles C4'-P-C4' energy: -21.371 flat angles P-C4'-P energy: -13.596 tors. eta vs tors. theta energy: -30.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -359.310000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.310000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.310000 (E_RNA) where: Base-Base interactions energy: -230.150 where: short stacking energy: -113.188 Base-Backbone interact. energy: -0.279 local terms energy: -128.880560 where: bonds (distance) C4'-P energy: -22.756 bonds (distance) P-C4' energy: -23.946 flat angles C4'-P-C4' energy: -29.487 flat angles P-C4'-P energy: -17.697 tors. eta vs tors. theta energy: -34.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -336.685129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.685129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.685129 (E_RNA) where: Base-Base interactions energy: -228.607 where: short stacking energy: -90.345 Base-Backbone interact. energy: -0.129 local terms energy: -107.948425 where: bonds (distance) C4'-P energy: -19.194 bonds (distance) P-C4' energy: -25.207 flat angles C4'-P-C4' energy: -21.950 flat angles P-C4'-P energy: -16.950 tors. eta vs tors. theta energy: -24.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -303.724269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.724269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.724269 (E_RNA) where: Base-Base interactions energy: -208.584 where: short stacking energy: -80.303 Base-Backbone interact. energy: -2.471 local terms energy: -92.668731 where: bonds (distance) C4'-P energy: -16.058 bonds (distance) P-C4' energy: -19.708 flat angles C4'-P-C4' energy: -23.354 flat angles P-C4'-P energy: -17.891 tors. eta vs tors. theta energy: -15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -239.084471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.084471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.084471 (E_RNA) where: Base-Base interactions energy: -145.486 where: short stacking energy: -69.923 Base-Backbone interact. energy: -0.481 local terms energy: -93.116755 where: bonds (distance) C4'-P energy: -20.242 bonds (distance) P-C4' energy: -23.480 flat angles C4'-P-C4' energy: -23.565 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -18.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -217.992823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.992823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.992823 (E_RNA) where: Base-Base interactions energy: -125.720 where: short stacking energy: -61.859 Base-Backbone interact. energy: -0.120 local terms energy: -92.153381 where: bonds (distance) C4'-P energy: -20.522 bonds (distance) P-C4' energy: -27.545 flat angles C4'-P-C4' energy: -22.192 flat angles P-C4'-P energy: -15.232 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: 9, replica: 5 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -219.466645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.466645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.466645 (E_RNA) where: Base-Base interactions energy: -128.946 where: short stacking energy: -72.468 Base-Backbone interact. energy: 0.878 local terms energy: -91.398756 where: bonds (distance) C4'-P energy: -18.431 bonds (distance) P-C4' energy: -26.254 flat angles C4'-P-C4' energy: -25.606 flat angles P-C4'-P energy: -13.344 tors. eta vs tors. theta energy: -7.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -192.917600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.917600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.917600 (E_RNA) where: Base-Base interactions energy: -117.089 where: short stacking energy: -55.492 Base-Backbone interact. energy: -0.982 local terms energy: -74.846278 where: bonds (distance) C4'-P energy: -20.518 bonds (distance) P-C4' energy: -17.623 flat angles C4'-P-C4' energy: -19.733 flat angles P-C4'-P energy: -13.401 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: 1, replica: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -427.822961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.822961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.822961 (E_RNA) where: Base-Base interactions energy: -307.410 where: short stacking energy: -120.757 Base-Backbone interact. energy: -0.638 local terms energy: -119.775183 where: bonds (distance) C4'-P energy: -21.670 bonds (distance) P-C4' energy: -21.846 flat angles C4'-P-C4' energy: -28.532 flat angles P-C4'-P energy: -10.038 tors. eta vs tors. theta energy: -37.689 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: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -342.594389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.594389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.594389 (E_RNA) where: Base-Base interactions energy: -235.144 where: short stacking energy: -99.448 Base-Backbone interact. energy: -0.319 local terms energy: -107.131687 where: bonds (distance) C4'-P energy: -17.283 bonds (distance) P-C4' energy: -20.916 flat angles C4'-P-C4' energy: -25.234 flat angles P-C4'-P energy: -16.396 tors. eta vs tors. theta energy: -27.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -365.541567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.541567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.541567 (E_RNA) where: Base-Base interactions energy: -251.462 where: short stacking energy: -102.671 Base-Backbone interact. energy: -0.713 local terms energy: -113.366608 where: bonds (distance) C4'-P energy: -22.731 bonds (distance) P-C4' energy: -26.229 flat angles C4'-P-C4' energy: -24.943 flat angles P-C4'-P energy: -13.738 tors. eta vs tors. theta energy: -25.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -359.928766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.928766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.928766 (E_RNA) where: Base-Base interactions energy: -237.632 where: short stacking energy: -115.577 Base-Backbone interact. energy: -0.659 local terms energy: -121.638672 where: bonds (distance) C4'-P energy: -20.560 bonds (distance) P-C4' energy: -22.629 flat angles C4'-P-C4' energy: -26.096 flat angles P-C4'-P energy: -19.454 tors. eta vs tors. theta energy: -32.900 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: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -330.117193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.117193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.117193 (E_RNA) where: Base-Base interactions energy: -219.857 where: short stacking energy: -90.257 Base-Backbone interact. energy: -0.134 local terms energy: -110.126421 where: bonds (distance) C4'-P energy: -21.908 bonds (distance) P-C4' energy: -25.278 flat angles C4'-P-C4' energy: -19.650 flat angles P-C4'-P energy: -16.715 tors. eta vs tors. theta energy: -26.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -302.826916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.826916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.826916 (E_RNA) where: Base-Base interactions energy: -203.581 where: short stacking energy: -75.692 Base-Backbone interact. energy: -1.244 local terms energy: -98.001983 where: bonds (distance) C4'-P energy: -24.932 bonds (distance) P-C4' energy: -22.436 flat angles C4'-P-C4' energy: -28.101 flat angles P-C4'-P energy: -11.675 tors. eta vs tors. theta energy: -10.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -253.916582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.916582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.916582 (E_RNA) where: Base-Base interactions energy: -161.804 where: short stacking energy: -88.043 Base-Backbone interact. energy: -0.456 local terms energy: -91.656449 where: bonds (distance) C4'-P energy: -17.023 bonds (distance) P-C4' energy: -25.712 flat angles C4'-P-C4' energy: -19.937 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -18.281 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: 91 Temperature: 1.250000 Total energy: -239.046032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.046032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.046032 (E_RNA) where: Base-Base interactions energy: -143.014 where: short stacking energy: -75.812 Base-Backbone interact. energy: -0.116 local terms energy: -95.915569 where: bonds (distance) C4'-P energy: -18.272 bonds (distance) P-C4' energy: -25.177 flat angles C4'-P-C4' energy: -21.815 flat angles P-C4'-P energy: -12.658 tors. eta vs tors. theta energy: -17.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -194.839836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.839836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.839836 (E_RNA) where: Base-Base interactions energy: -99.620 where: short stacking energy: -55.888 Base-Backbone interact. energy: -0.158 local terms energy: -95.061268 where: bonds (distance) C4'-P energy: -17.472 bonds (distance) P-C4' energy: -23.423 flat angles C4'-P-C4' energy: -21.830 flat angles P-C4'-P energy: -15.243 tors. eta vs tors. theta energy: -17.094 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: 91 Temperature: 1.350000 Total energy: -169.627234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.627234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.627234 (E_RNA) where: Base-Base interactions energy: -94.534 where: short stacking energy: -46.402 Base-Backbone interact. energy: -0.229 local terms energy: -74.864107 where: bonds (distance) C4'-P energy: -19.511 bonds (distance) P-C4' energy: -18.500 flat angles C4'-P-C4' energy: -18.958 flat angles P-C4'-P energy: -13.351 tors. eta vs tors. theta energy: -4.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -426.153425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.153425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.153425 (E_RNA) where: Base-Base interactions energy: -302.954 where: short stacking energy: -124.156 Base-Backbone interact. energy: -0.042 local terms energy: -123.157637 where: bonds (distance) C4'-P energy: -19.251 bonds (distance) P-C4' energy: -23.752 flat angles C4'-P-C4' energy: -28.475 flat angles P-C4'-P energy: -14.219 tors. eta vs tors. theta energy: -37.460 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: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -366.964282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.964282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.964282 (E_RNA) where: Base-Base interactions energy: -241.006 where: short stacking energy: -108.400 Base-Backbone interact. energy: -0.448 local terms energy: -125.509878 where: bonds (distance) C4'-P energy: -24.501 bonds (distance) P-C4' energy: -25.506 flat angles C4'-P-C4' energy: -27.358 flat angles P-C4'-P energy: -17.568 tors. eta vs tors. theta energy: -30.576 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: 3, replica: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -361.302140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.302140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.302140 (E_RNA) where: Base-Base interactions energy: -239.680 where: short stacking energy: -115.219 Base-Backbone interact. energy: -0.029 local terms energy: -121.593171 where: bonds (distance) C4'-P energy: -18.907 bonds (distance) P-C4' energy: -26.469 flat angles C4'-P-C4' energy: -27.449 flat angles P-C4'-P energy: -17.946 tors. eta vs tors. theta energy: -30.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -354.264221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.264221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.264221 (E_RNA) where: Base-Base interactions energy: -242.902 where: short stacking energy: -98.234 Base-Backbone interact. energy: -0.283 local terms energy: -111.080027 where: bonds (distance) C4'-P energy: -22.622 bonds (distance) P-C4' energy: -25.350 flat angles C4'-P-C4' energy: -28.220 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -24.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -341.822841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.822841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.822841 (E_RNA) where: Base-Base interactions energy: -232.707 where: short stacking energy: -90.064 Base-Backbone interact. energy: -0.868 local terms energy: -108.247302 where: bonds (distance) C4'-P energy: -18.153 bonds (distance) P-C4' energy: -24.560 flat angles C4'-P-C4' energy: -27.162 flat angles P-C4'-P energy: -16.030 tors. eta vs tors. theta energy: -22.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -305.634718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.634718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.634718 (E_RNA) where: Base-Base interactions energy: -218.147 where: short stacking energy: -81.410 Base-Backbone interact. energy: -0.766 local terms energy: -86.721759 where: bonds (distance) C4'-P energy: -18.532 bonds (distance) P-C4' energy: -20.203 flat angles C4'-P-C4' energy: -18.252 flat angles P-C4'-P energy: -14.920 tors. eta vs tors. theta energy: -14.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -250.563700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.563700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.563700 (E_RNA) where: Base-Base interactions energy: -150.899 where: short stacking energy: -80.456 Base-Backbone interact. energy: 1.272 local terms energy: -100.936780 where: bonds (distance) C4'-P energy: -25.620 bonds (distance) P-C4' energy: -21.629 flat angles C4'-P-C4' energy: -21.737 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -20.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -240.436149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.436149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.436149 (E_RNA) where: Base-Base interactions energy: -143.370 where: short stacking energy: -73.751 Base-Backbone interact. energy: -1.606 local terms energy: -95.460882 where: bonds (distance) C4'-P energy: -14.990 bonds (distance) P-C4' energy: -25.204 flat angles C4'-P-C4' energy: -21.895 flat angles P-C4'-P energy: -14.725 tors. eta vs tors. theta energy: -18.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -189.537359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.537359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.537359 (E_RNA) where: Base-Base interactions energy: -97.293 where: short stacking energy: -46.160 Base-Backbone interact. energy: -0.168 local terms energy: -92.075936 where: bonds (distance) C4'-P energy: -20.601 bonds (distance) P-C4' energy: -26.496 flat angles C4'-P-C4' energy: -18.491 flat angles P-C4'-P energy: -18.029 tors. eta vs tors. theta energy: -8.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -177.102402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.102402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.102402 (E_RNA) where: Base-Base interactions energy: -104.283 where: short stacking energy: -40.686 Base-Backbone interact. energy: -1.515 local terms energy: -71.304290 where: bonds (distance) C4'-P energy: -24.671 bonds (distance) P-C4' energy: -23.800 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -413.641104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.641104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.641104 (E_RNA) where: Base-Base interactions energy: -294.943 where: short stacking energy: -119.081 Base-Backbone interact. energy: -0.379 local terms energy: -118.318445 where: bonds (distance) C4'-P energy: -23.955 bonds (distance) P-C4' energy: -24.573 flat angles C4'-P-C4' energy: -22.366 flat angles P-C4'-P energy: -14.372 tors. eta vs tors. theta energy: -33.053 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: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -372.013778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.013778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.013778 (E_RNA) where: Base-Base interactions energy: -246.382 where: short stacking energy: -109.699 Base-Backbone interact. energy: -2.316 local terms energy: -123.315924 where: bonds (distance) C4'-P energy: -22.770 bonds (distance) P-C4' energy: -27.630 flat angles C4'-P-C4' energy: -22.029 flat angles P-C4'-P energy: -21.567 tors. eta vs tors. theta energy: -29.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -344.535148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.535148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.535148 (E_RNA) where: Base-Base interactions energy: -235.250 where: short stacking energy: -113.739 Base-Backbone interact. energy: 0.334 local terms energy: -109.618749 where: bonds (distance) C4'-P energy: -22.121 bonds (distance) P-C4' energy: -19.134 flat angles C4'-P-C4' energy: -26.325 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -32.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -358.885006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.885006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.885006 (E_RNA) where: Base-Base interactions energy: -234.843 where: short stacking energy: -96.393 Base-Backbone interact. energy: -1.238 local terms energy: -122.804221 where: bonds (distance) C4'-P energy: -24.740 bonds (distance) P-C4' energy: -27.275 flat angles C4'-P-C4' energy: -26.767 flat angles P-C4'-P energy: -16.069 tors. eta vs tors. theta energy: -27.954 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: 93 Temperature: 1.100000 Total energy: -340.249282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.249282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.249282 (E_RNA) where: Base-Base interactions energy: -238.964 where: short stacking energy: -107.283 Base-Backbone interact. energy: 3.014 local terms energy: -104.298819 where: bonds (distance) C4'-P energy: -23.863 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -21.604 flat angles P-C4'-P energy: -20.234 tors. eta vs tors. theta energy: -23.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -307.526952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.526952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.526952 (E_RNA) where: Base-Base interactions energy: -212.595 where: short stacking energy: -76.402 Base-Backbone interact. energy: -0.489 local terms energy: -94.443112 where: bonds (distance) C4'-P energy: -19.457 bonds (distance) P-C4' energy: -24.530 flat angles C4'-P-C4' energy: -22.074 flat angles P-C4'-P energy: -15.330 tors. eta vs tors. theta energy: -13.051 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: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -233.747833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.747833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.747833 (E_RNA) where: Base-Base interactions energy: -142.899 where: short stacking energy: -73.287 Base-Backbone interact. energy: -0.083 local terms energy: -90.765330 where: bonds (distance) C4'-P energy: -22.555 bonds (distance) P-C4' energy: -21.307 flat angles C4'-P-C4' energy: -19.125 flat angles P-C4'-P energy: -16.417 tors. eta vs tors. theta energy: -11.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -240.596297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.596297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.596297 (E_RNA) where: Base-Base interactions energy: -147.496 where: short stacking energy: -78.977 Base-Backbone interact. energy: -0.749 local terms energy: -92.351359 where: bonds (distance) C4'-P energy: -18.976 bonds (distance) P-C4' energy: -24.181 flat angles C4'-P-C4' energy: -24.880 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -14.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -215.223045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.223045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.223045 (E_RNA) where: Base-Base interactions energy: -135.235 where: short stacking energy: -59.064 Base-Backbone interact. energy: -0.775 local terms energy: -79.212965 where: bonds (distance) C4'-P energy: -18.075 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -24.226 flat angles P-C4'-P energy: -15.618 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -174.929389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.929389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.929389 (E_RNA) where: Base-Base interactions energy: -83.986 where: short stacking energy: -35.515 Base-Backbone interact. energy: -2.250 local terms energy: -88.694129 where: bonds (distance) C4'-P energy: -20.693 bonds (distance) P-C4' energy: -21.908 flat angles C4'-P-C4' energy: -27.458 flat angles P-C4'-P energy: -14.397 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -407.255932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.255932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.255932 (E_RNA) where: Base-Base interactions energy: -286.920 where: short stacking energy: -118.280 Base-Backbone interact. energy: -0.065 local terms energy: -120.270362 where: bonds (distance) C4'-P energy: -23.588 bonds (distance) P-C4' energy: -22.656 flat angles C4'-P-C4' energy: -28.252 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -35.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -369.834635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.834635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.834635 (E_RNA) where: Base-Base interactions energy: -236.807 where: short stacking energy: -111.249 Base-Backbone interact. energy: -2.105 local terms energy: -130.922177 where: bonds (distance) C4'-P energy: -23.884 bonds (distance) P-C4' energy: -28.041 flat angles C4'-P-C4' energy: -23.694 flat angles P-C4'-P energy: -21.957 tors. eta vs tors. theta energy: -33.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -366.872890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.872890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.872890 (E_RNA) where: Base-Base interactions energy: -242.691 where: short stacking energy: -106.459 Base-Backbone interact. energy: -0.108 local terms energy: -124.074385 where: bonds (distance) C4'-P energy: -19.927 bonds (distance) P-C4' energy: -25.115 flat angles C4'-P-C4' energy: -25.822 flat angles P-C4'-P energy: -21.053 tors. eta vs tors. theta energy: -32.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -340.555852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.555852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.555852 (E_RNA) where: Base-Base interactions energy: -220.282 where: short stacking energy: -115.569 Base-Backbone interact. energy: -0.011 local terms energy: -120.263050 where: bonds (distance) C4'-P energy: -21.215 bonds (distance) P-C4' energy: -27.251 flat angles C4'-P-C4' energy: -26.866 flat angles P-C4'-P energy: -13.235 tors. eta vs tors. theta energy: -31.695 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: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -340.125334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.125334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.125334 (E_RNA) where: Base-Base interactions energy: -244.519 where: short stacking energy: -101.580 Base-Backbone interact. energy: -1.349 local terms energy: -94.257395 where: bonds (distance) C4'-P energy: -18.957 bonds (distance) P-C4' energy: -15.302 flat angles C4'-P-C4' energy: -21.794 flat angles P-C4'-P energy: -18.012 tors. eta vs tors. theta energy: -20.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -302.919344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.919344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.919344 (E_RNA) where: Base-Base interactions energy: -200.707 where: short stacking energy: -78.813 Base-Backbone interact. energy: -2.078 local terms energy: -100.134768 where: bonds (distance) C4'-P energy: -27.102 bonds (distance) P-C4' energy: -24.556 flat angles C4'-P-C4' energy: -20.299 flat angles P-C4'-P energy: -16.543 tors. eta vs tors. theta energy: -11.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -244.411947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.411947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.411947 (E_RNA) where: Base-Base interactions energy: -147.127 where: short stacking energy: -68.039 Base-Backbone interact. energy: -0.638 local terms energy: -96.646855 where: bonds (distance) C4'-P energy: -21.474 bonds (distance) P-C4' energy: -28.121 flat angles C4'-P-C4' energy: -25.899 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -210.713750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.713750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.713750 (E_RNA) where: Base-Base interactions energy: -118.963 where: short stacking energy: -84.117 Base-Backbone interact. energy: 0.017 local terms energy: -91.767879 where: bonds (distance) C4'-P energy: -21.028 bonds (distance) P-C4' energy: -14.020 flat angles C4'-P-C4' energy: -21.018 flat angles P-C4'-P energy: -16.579 tors. eta vs tors. theta energy: -19.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -218.286107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.286107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.286107 (E_RNA) where: Base-Base interactions energy: -130.215 where: short stacking energy: -60.125 Base-Backbone interact. energy: 0.005 local terms energy: -88.076280 where: bonds (distance) C4'-P energy: -19.875 bonds (distance) P-C4' energy: -25.936 flat angles C4'-P-C4' energy: -21.396 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -172.756676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.756676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.756676 (E_RNA) where: Base-Base interactions energy: -92.523 where: short stacking energy: -55.057 Base-Backbone interact. energy: 1.063 local terms energy: -81.297484 where: bonds (distance) C4'-P energy: -19.674 bonds (distance) P-C4' energy: -23.229 flat angles C4'-P-C4' energy: -22.746 flat angles P-C4'-P energy: -12.653 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -420.981100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.981100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.981100 (E_RNA) where: Base-Base interactions energy: -289.866 where: short stacking energy: -121.162 Base-Backbone interact. energy: -0.324 local terms energy: -130.790528 where: bonds (distance) C4'-P energy: -26.919 bonds (distance) P-C4' energy: -27.911 flat angles C4'-P-C4' energy: -28.833 flat angles P-C4'-P energy: -13.135 tors. eta vs tors. theta energy: -33.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -383.175986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.175986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.175986 (E_RNA) where: Base-Base interactions energy: -250.446 where: short stacking energy: -120.445 Base-Backbone interact. energy: -1.501 local terms energy: -131.229016 where: bonds (distance) C4'-P energy: -25.234 bonds (distance) P-C4' energy: -26.949 flat angles C4'-P-C4' energy: -22.946 flat angles P-C4'-P energy: -19.596 tors. eta vs tors. theta energy: -36.504 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: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -340.981603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.981603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.981603 (E_RNA) where: Base-Base interactions energy: -228.808 where: short stacking energy: -99.225 Base-Backbone interact. energy: -0.516 local terms energy: -111.657281 where: bonds (distance) C4'-P energy: -21.600 bonds (distance) P-C4' energy: -25.662 flat angles C4'-P-C4' energy: -24.739 flat angles P-C4'-P energy: -14.035 tors. eta vs tors. theta energy: -25.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -333.153082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.153082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.153082 (E_RNA) where: Base-Base interactions energy: -224.731 where: short stacking energy: -96.862 Base-Backbone interact. energy: 0.165 local terms energy: -108.586285 where: bonds (distance) C4'-P energy: -25.204 bonds (distance) P-C4' energy: -23.730 flat angles C4'-P-C4' energy: -26.608 flat angles P-C4'-P energy: -15.651 tors. eta vs tors. theta energy: -17.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -339.381176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.381176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.381176 (E_RNA) where: Base-Base interactions energy: -226.094 where: short stacking energy: -113.164 Base-Backbone interact. energy: -0.062 local terms energy: -113.225410 where: bonds (distance) C4'-P energy: -19.148 bonds (distance) P-C4' energy: -25.308 flat angles C4'-P-C4' energy: -26.170 flat angles P-C4'-P energy: -12.594 tors. eta vs tors. theta energy: -30.005 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: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -308.368172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.368172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.368172 (E_RNA) where: Base-Base interactions energy: -218.396 where: short stacking energy: -88.709 Base-Backbone interact. energy: -1.333 local terms energy: -88.638415 where: bonds (distance) C4'-P energy: -16.395 bonds (distance) P-C4' energy: -19.552 flat angles C4'-P-C4' energy: -19.649 flat angles P-C4'-P energy: -13.210 tors. eta vs tors. theta energy: -19.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -266.205575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.205575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.205575 (E_RNA) where: Base-Base interactions energy: -165.482 where: short stacking energy: -78.971 Base-Backbone interact. energy: -0.129 local terms energy: -100.594009 where: bonds (distance) C4'-P energy: -23.797 bonds (distance) P-C4' energy: -20.454 flat angles C4'-P-C4' energy: -17.221 flat angles P-C4'-P energy: -12.484 tors. eta vs tors. theta energy: -26.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -225.577692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.577692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.577692 (E_RNA) where: Base-Base interactions energy: -132.639 where: short stacking energy: -61.474 Base-Backbone interact. energy: -0.491 local terms energy: -92.447922 where: bonds (distance) C4'-P energy: -19.478 bonds (distance) P-C4' energy: -27.651 flat angles C4'-P-C4' energy: -18.668 flat angles P-C4'-P energy: -18.740 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -205.378722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.378722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.378722 (E_RNA) where: Base-Base interactions energy: -119.991 where: short stacking energy: -57.981 Base-Backbone interact. energy: -0.597 local terms energy: -84.791203 where: bonds (distance) C4'-P energy: -24.919 bonds (distance) P-C4' energy: -21.473 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -13.148 tors. eta vs tors. theta energy: -12.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -170.361581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.361581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.361581 (E_RNA) where: Base-Base interactions energy: -107.565 where: short stacking energy: -40.750 Base-Backbone interact. energy: -0.222 local terms energy: -62.574561 where: bonds (distance) C4'-P energy: -22.953 bonds (distance) P-C4' energy: -13.355 flat angles C4'-P-C4' energy: -19.389 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -397.176881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.176881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.176881 (E_RNA) where: Base-Base interactions energy: -271.619 where: short stacking energy: -111.992 Base-Backbone interact. energy: -0.788 local terms energy: -124.769651 where: bonds (distance) C4'-P energy: -25.051 bonds (distance) P-C4' energy: -25.629 flat angles C4'-P-C4' energy: -20.978 flat angles P-C4'-P energy: -17.744 tors. eta vs tors. theta energy: -35.368 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: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -423.271201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.271201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.271201 (E_RNA) where: Base-Base interactions energy: -288.708 where: short stacking energy: -119.490 Base-Backbone interact. energy: -0.010 local terms energy: -134.553526 where: bonds (distance) C4'-P energy: -27.549 bonds (distance) P-C4' energy: -25.190 flat angles C4'-P-C4' energy: -29.680 flat angles P-C4'-P energy: -15.606 tors. eta vs tors. theta energy: -36.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -345.866951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.866951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.866951 (E_RNA) where: Base-Base interactions energy: -218.154 where: short stacking energy: -104.172 Base-Backbone interact. energy: -0.737 local terms energy: -126.976132 where: bonds (distance) C4'-P energy: -22.445 bonds (distance) P-C4' energy: -27.788 flat angles C4'-P-C4' energy: -26.186 flat angles P-C4'-P energy: -18.036 tors. eta vs tors. theta energy: -32.522 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: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -343.303928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.303928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.303928 (E_RNA) where: Base-Base interactions energy: -222.829 where: short stacking energy: -94.153 Base-Backbone interact. energy: 0.010 local terms energy: -120.485578 where: bonds (distance) C4'-P energy: -28.160 bonds (distance) P-C4' energy: -27.094 flat angles C4'-P-C4' energy: -27.489 flat angles P-C4'-P energy: -15.739 tors. eta vs tors. theta energy: -22.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -353.848550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.848550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.848550 (E_RNA) where: Base-Base interactions energy: -229.152 where: short stacking energy: -117.344 Base-Backbone interact. energy: -1.018 local terms energy: -123.678888 where: bonds (distance) C4'-P energy: -23.544 bonds (distance) P-C4' energy: -21.346 flat angles C4'-P-C4' energy: -26.235 flat angles P-C4'-P energy: -17.229 tors. eta vs tors. theta energy: -35.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -303.981359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.981359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.981359 (E_RNA) where: Base-Base interactions energy: -203.411 where: short stacking energy: -81.075 Base-Backbone interact. energy: 0.429 local terms energy: -100.999544 where: bonds (distance) C4'-P energy: -26.297 bonds (distance) P-C4' energy: -18.997 flat angles C4'-P-C4' energy: -27.403 flat angles P-C4'-P energy: -12.546 tors. eta vs tors. theta energy: -15.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -250.406278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.406278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.406278 (E_RNA) where: Base-Base interactions energy: -153.967 where: short stacking energy: -80.793 Base-Backbone interact. energy: -0.159 local terms energy: -96.279964 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -26.158 flat angles C4'-P-C4' energy: -17.663 flat angles P-C4'-P energy: -16.898 tors. eta vs tors. theta energy: -20.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -221.503704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.503704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.503704 (E_RNA) where: Base-Base interactions energy: -128.321 where: short stacking energy: -52.726 Base-Backbone interact. energy: -0.698 local terms energy: -92.485170 where: bonds (distance) C4'-P energy: -26.087 bonds (distance) P-C4' energy: -22.859 flat angles C4'-P-C4' energy: -25.154 flat angles P-C4'-P energy: -14.137 tors. eta vs tors. theta energy: -4.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -187.667257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.667257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.667257 (E_RNA) where: Base-Base interactions energy: -108.729 where: short stacking energy: -55.821 Base-Backbone interact. energy: 0.213 local terms energy: -79.151057 where: bonds (distance) C4'-P energy: -20.100 bonds (distance) P-C4' energy: -23.118 flat angles C4'-P-C4' energy: -14.798 flat angles P-C4'-P energy: -15.098 tors. eta vs tors. theta energy: -6.036 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: 96 Temperature: 1.350000 Total energy: -190.137347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.137347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.137347 (E_RNA) where: Base-Base interactions energy: -108.176 where: short stacking energy: -58.249 Base-Backbone interact. energy: -0.128 local terms energy: -81.833082 where: bonds (distance) C4'-P energy: -23.290 bonds (distance) P-C4' energy: -20.540 flat angles C4'-P-C4' energy: -19.794 flat angles P-C4'-P energy: -11.193 tors. eta vs tors. theta energy: -7.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -407.841181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.841181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.841181 (E_RNA) where: Base-Base interactions energy: -272.240 where: short stacking energy: -113.718 Base-Backbone interact. energy: -1.344 local terms energy: -134.257072 where: bonds (distance) C4'-P energy: -25.434 bonds (distance) P-C4' energy: -27.713 flat angles C4'-P-C4' energy: -27.812 flat angles P-C4'-P energy: -17.090 tors. eta vs tors. theta energy: -36.208 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: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -398.062324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.062324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.062324 (E_RNA) where: Base-Base interactions energy: -276.921 where: short stacking energy: -124.533 Base-Backbone interact. energy: -0.076 local terms energy: -121.065132 where: bonds (distance) C4'-P energy: -23.300 bonds (distance) P-C4' energy: -20.869 flat angles C4'-P-C4' energy: -20.885 flat angles P-C4'-P energy: -18.838 tors. eta vs tors. theta energy: -37.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -347.279134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.279134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.279134 (E_RNA) where: Base-Base interactions energy: -231.543 where: short stacking energy: -97.386 Base-Backbone interact. energy: -1.871 local terms energy: -113.865018 where: bonds (distance) C4'-P energy: -20.410 bonds (distance) P-C4' energy: -27.888 flat angles C4'-P-C4' energy: -23.357 flat angles P-C4'-P energy: -15.919 tors. eta vs tors. theta energy: -26.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -347.987847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.987847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.987847 (E_RNA) where: Base-Base interactions energy: -237.066 where: short stacking energy: -118.251 Base-Backbone interact. energy: -0.180 local terms energy: -110.741407 where: bonds (distance) C4'-P energy: -17.247 bonds (distance) P-C4' energy: -22.342 flat angles C4'-P-C4' energy: -22.790 flat angles P-C4'-P energy: -14.637 tors. eta vs tors. theta energy: -33.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -340.904605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.904605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.904605 (E_RNA) where: Base-Base interactions energy: -235.393 where: short stacking energy: -100.937 Base-Backbone interact. energy: -2.125 local terms energy: -103.386845 where: bonds (distance) C4'-P energy: -20.855 bonds (distance) P-C4' energy: -21.431 flat angles C4'-P-C4' energy: -18.527 flat angles P-C4'-P energy: -17.853 tors. eta vs tors. theta energy: -24.720 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: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -255.320090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.320090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.320090 (E_RNA) where: Base-Base interactions energy: -154.354 where: short stacking energy: -68.626 Base-Backbone interact. energy: -0.202 local terms energy: -100.763693 where: bonds (distance) C4'-P energy: -21.154 bonds (distance) P-C4' energy: -24.292 flat angles C4'-P-C4' energy: -22.395 flat angles P-C4'-P energy: -15.783 tors. eta vs tors. theta energy: -17.139 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: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -291.077242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.077242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.077242 (E_RNA) where: Base-Base interactions energy: -194.802 where: short stacking energy: -74.072 Base-Backbone interact. energy: -2.249 local terms energy: -94.025572 where: bonds (distance) C4'-P energy: -23.598 bonds (distance) P-C4' energy: -17.751 flat angles C4'-P-C4' energy: -21.089 flat angles P-C4'-P energy: -14.996 tors. eta vs tors. theta energy: -16.590 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: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -193.917939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.917939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.917939 (E_RNA) where: Base-Base interactions energy: -106.975 where: short stacking energy: -55.488 Base-Backbone interact. energy: -1.969 local terms energy: -84.974285 where: bonds (distance) C4'-P energy: -23.498 bonds (distance) P-C4' energy: -19.397 flat angles C4'-P-C4' energy: -18.283 flat angles P-C4'-P energy: -11.364 tors. eta vs tors. theta energy: -12.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -186.381144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.381144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.381144 (E_RNA) where: Base-Base interactions energy: -122.701 where: short stacking energy: -53.479 Base-Backbone interact. energy: -0.644 local terms energy: -63.036658 where: bonds (distance) C4'-P energy: -11.763 bonds (distance) P-C4' energy: -23.564 flat angles C4'-P-C4' energy: -20.489 flat angles P-C4'-P energy: -11.377 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: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -206.367965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.367965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.367965 (E_RNA) where: Base-Base interactions energy: -126.968 where: short stacking energy: -69.011 Base-Backbone interact. energy: 1.578 local terms energy: -80.977863 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -19.495 flat angles C4'-P-C4' energy: -22.815 flat angles P-C4'-P energy: -9.682 tors. eta vs tors. theta energy: -15.866 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: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -400.479740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.479740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.479740 (E_RNA) where: Base-Base interactions energy: -275.171 where: short stacking energy: -116.672 Base-Backbone interact. energy: -0.106 local terms energy: -125.202310 where: bonds (distance) C4'-P energy: -21.984 bonds (distance) P-C4' energy: -24.537 flat angles C4'-P-C4' energy: -25.168 flat angles P-C4'-P energy: -19.166 tors. eta vs tors. theta energy: -34.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -390.418662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.418662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.418662 (E_RNA) where: Base-Base interactions energy: -261.096 where: short stacking energy: -110.475 Base-Backbone interact. energy: -1.622 local terms energy: -127.701190 where: bonds (distance) C4'-P energy: -23.983 bonds (distance) P-C4' energy: -28.848 flat angles C4'-P-C4' energy: -25.492 flat angles P-C4'-P energy: -15.473 tors. eta vs tors. theta energy: -33.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -362.324236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.324236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.324236 (E_RNA) where: Base-Base interactions energy: -235.142 where: short stacking energy: -114.737 Base-Backbone interact. energy: -0.722 local terms energy: -126.459995 where: bonds (distance) C4'-P energy: -22.752 bonds (distance) P-C4' energy: -24.822 flat angles C4'-P-C4' energy: -26.418 flat angles P-C4'-P energy: -16.006 tors. eta vs tors. theta energy: -36.461 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: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -354.788126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.788126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.788126 (E_RNA) where: Base-Base interactions energy: -245.714 where: short stacking energy: -105.355 Base-Backbone interact. energy: -0.060 local terms energy: -109.013684 where: bonds (distance) C4'-P energy: -20.071 bonds (distance) P-C4' energy: -19.029 flat angles C4'-P-C4' energy: -28.343 flat angles P-C4'-P energy: -18.899 tors. eta vs tors. theta energy: -22.672 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: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -348.903823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.903823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.903823 (E_RNA) where: Base-Base interactions energy: -242.172 where: short stacking energy: -97.565 Base-Backbone interact. energy: -0.139 local terms energy: -106.592298 where: bonds (distance) C4'-P energy: -23.814 bonds (distance) P-C4' energy: -23.432 flat angles C4'-P-C4' energy: -20.948 flat angles P-C4'-P energy: -20.034 tors. eta vs tors. theta energy: -18.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -258.487939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.487939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.487939 (E_RNA) where: Base-Base interactions energy: -161.805 where: short stacking energy: -83.800 Base-Backbone interact. energy: -1.000 local terms energy: -95.683051 where: bonds (distance) C4'-P energy: -23.034 bonds (distance) P-C4' energy: -22.130 flat angles C4'-P-C4' energy: -16.972 flat angles P-C4'-P energy: -14.718 tors. eta vs tors. theta energy: -18.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -222.680675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.680675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.680675 (E_RNA) where: Base-Base interactions energy: -133.988 where: short stacking energy: -72.485 Base-Backbone interact. energy: 2.187 local terms energy: -90.879468 where: bonds (distance) C4'-P energy: -22.572 bonds (distance) P-C4' energy: -21.929 flat angles C4'-P-C4' energy: -23.765 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -15.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -292.535896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.535896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.535896 (E_RNA) where: Base-Base interactions energy: -199.952 where: short stacking energy: -79.637 Base-Backbone interact. energy: -1.298 local terms energy: -91.285520 where: bonds (distance) C4'-P energy: -23.011 bonds (distance) P-C4' energy: -26.622 flat angles C4'-P-C4' energy: -15.619 flat angles P-C4'-P energy: -12.391 tors. eta vs tors. theta energy: -13.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -204.161895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.161895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.161895 (E_RNA) where: Base-Base interactions energy: -113.934 where: short stacking energy: -61.846 Base-Backbone interact. energy: 0.409 local terms energy: -90.636903 where: bonds (distance) C4'-P energy: -24.775 bonds (distance) P-C4' energy: -19.585 flat angles C4'-P-C4' energy: -26.708 flat angles P-C4'-P energy: -13.202 tors. eta vs tors. theta energy: -6.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -182.671101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.671101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.671101 (E_RNA) where: Base-Base interactions energy: -111.464 where: short stacking energy: -52.415 Base-Backbone interact. energy: -0.532 local terms energy: -70.675317 where: bonds (distance) C4'-P energy: -16.928 bonds (distance) P-C4' energy: -14.404 flat angles C4'-P-C4' energy: -22.539 flat angles P-C4'-P energy: -15.151 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: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -400.653331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.653331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.653331 (E_RNA) where: Base-Base interactions energy: -270.771 where: short stacking energy: -120.625 Base-Backbone interact. energy: -1.641 local terms energy: -128.241483 where: bonds (distance) C4'-P energy: -21.400 bonds (distance) P-C4' energy: -25.991 flat angles C4'-P-C4' energy: -23.213 flat angles P-C4'-P energy: -21.974 tors. eta vs tors. theta energy: -35.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -385.329945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.329945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.329945 (E_RNA) where: Base-Base interactions energy: -253.869 where: short stacking energy: -111.225 Base-Backbone interact. energy: -1.091 local terms energy: -130.369614 where: bonds (distance) C4'-P energy: -27.630 bonds (distance) P-C4' energy: -25.178 flat angles C4'-P-C4' energy: -27.147 flat angles P-C4'-P energy: -18.950 tors. eta vs tors. theta energy: -31.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -363.213940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.213940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.213940 (E_RNA) where: Base-Base interactions energy: -237.446 where: short stacking energy: -121.576 Base-Backbone interact. energy: -0.004 local terms energy: -125.763800 where: bonds (distance) C4'-P energy: -22.937 bonds (distance) P-C4' energy: -26.334 flat angles C4'-P-C4' energy: -22.320 flat angles P-C4'-P energy: -16.780 tors. eta vs tors. theta energy: -37.393 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: 99 Temperature: 1.050000 Total energy: -372.923705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.923705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.923705 (E_RNA) where: Base-Base interactions energy: -258.146 where: short stacking energy: -104.158 Base-Backbone interact. energy: -0.267 local terms energy: -114.511216 where: bonds (distance) C4'-P energy: -23.367 bonds (distance) P-C4' energy: -22.664 flat angles C4'-P-C4' energy: -23.600 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -34.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -345.772132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.772132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.772132 (E_RNA) where: Base-Base interactions energy: -240.861 where: short stacking energy: -99.906 Base-Backbone interact. energy: -0.864 local terms energy: -104.046668 where: bonds (distance) C4'-P energy: -22.708 bonds (distance) P-C4' energy: -20.754 flat angles C4'-P-C4' energy: -21.024 flat angles P-C4'-P energy: -14.838 tors. eta vs tors. theta energy: -24.723 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: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -272.099730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.099730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.099730 (E_RNA) where: Base-Base interactions energy: -167.362 where: short stacking energy: -82.280 Base-Backbone interact. energy: -0.089 local terms energy: -104.648432 where: bonds (distance) C4'-P energy: -27.510 bonds (distance) P-C4' energy: -26.803 flat angles C4'-P-C4' energy: -18.651 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -22.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -207.485787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.485787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.485787 (E_RNA) where: Base-Base interactions energy: -119.043 where: short stacking energy: -67.677 Base-Backbone interact. energy: -1.032 local terms energy: -87.411659 where: bonds (distance) C4'-P energy: -22.508 bonds (distance) P-C4' energy: -22.940 flat angles C4'-P-C4' energy: -17.500 flat angles P-C4'-P energy: -12.305 tors. eta vs tors. theta energy: -12.159 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: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -192.290162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.290162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.290162 (E_RNA) where: Base-Base interactions energy: -104.760 where: short stacking energy: -61.180 Base-Backbone interact. energy: -0.325 local terms energy: -87.205617 where: bonds (distance) C4'-P energy: -16.203 bonds (distance) P-C4' energy: -22.581 flat angles C4'-P-C4' energy: -23.164 flat angles P-C4'-P energy: -13.336 tors. eta vs tors. theta energy: -11.922 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: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -258.785113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.785113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.785113 (E_RNA) where: Base-Base interactions energy: -159.239 where: short stacking energy: -74.424 Base-Backbone interact. energy: -0.931 local terms energy: -98.615842 where: bonds (distance) C4'-P energy: -16.084 bonds (distance) P-C4' energy: -26.473 flat angles C4'-P-C4' energy: -26.083 flat angles P-C4'-P energy: -18.269 tors. eta vs tors. theta energy: -11.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -184.835694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.835694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.835694 (E_RNA) where: Base-Base interactions energy: -100.102 where: short stacking energy: -55.909 Base-Backbone interact. energy: -0.212 local terms energy: -84.521179 where: bonds (distance) C4'-P energy: -22.093 bonds (distance) P-C4' energy: -21.942 flat angles C4'-P-C4' energy: -19.936 flat angles P-C4'-P energy: -10.997 tors. eta vs tors. theta energy: -9.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -407.092523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.092523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.092523 (E_RNA) where: Base-Base interactions energy: -275.644 where: short stacking energy: -133.331 Base-Backbone interact. energy: -0.001 local terms energy: -131.447648 where: bonds (distance) C4'-P energy: -19.289 bonds (distance) P-C4' energy: -26.137 flat angles C4'-P-C4' energy: -26.261 flat angles P-C4'-P energy: -21.148 tors. eta vs tors. theta energy: -38.613 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: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -405.626376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.626376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.626376 (E_RNA) where: Base-Base interactions energy: -281.602 where: short stacking energy: -126.049 Base-Backbone interact. energy: -0.481 local terms energy: -123.543999 where: bonds (distance) C4'-P energy: -22.418 bonds (distance) P-C4' energy: -21.434 flat angles C4'-P-C4' energy: -28.476 flat angles P-C4'-P energy: -17.352 tors. eta vs tors. theta energy: -33.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -378.987495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.987495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.987495 (E_RNA) where: Base-Base interactions energy: -259.318 where: short stacking energy: -115.506 Base-Backbone interact. energy: -1.197 local terms energy: -118.473397 where: bonds (distance) C4'-P energy: -20.612 bonds (distance) P-C4' energy: -26.566 flat angles C4'-P-C4' energy: -25.598 flat angles P-C4'-P energy: -13.487 tors. eta vs tors. theta energy: -32.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -360.801206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.801206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.801206 (E_RNA) where: Base-Base interactions energy: -248.597 where: short stacking energy: -124.821 Base-Backbone interact. energy: -0.874 local terms energy: -111.330048 where: bonds (distance) C4'-P energy: -20.916 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -23.995 flat angles P-C4'-P energy: -17.038 tors. eta vs tors. theta energy: -36.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -338.222600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.222600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.222600 (E_RNA) where: Base-Base interactions energy: -238.557 where: short stacking energy: -86.723 Base-Backbone interact. energy: -0.386 local terms energy: -99.280034 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -23.775 flat angles C4'-P-C4' energy: -20.872 flat angles P-C4'-P energy: -15.607 tors. eta vs tors. theta energy: -22.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -270.535249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.535249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.535249 (E_RNA) where: Base-Base interactions energy: -170.317 where: short stacking energy: -85.047 Base-Backbone interact. energy: -0.374 local terms energy: -99.843937 where: bonds (distance) C4'-P energy: -24.688 bonds (distance) P-C4' energy: -25.015 flat angles C4'-P-C4' energy: -22.639 flat angles P-C4'-P energy: -13.535 tors. eta vs tors. theta energy: -13.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -203.429874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.429874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.429874 (E_RNA) where: Base-Base interactions energy: -115.871 where: short stacking energy: -63.558 Base-Backbone interact. energy: -0.269 local terms energy: -87.290133 where: bonds (distance) C4'-P energy: -20.660 bonds (distance) P-C4' energy: -20.316 flat angles C4'-P-C4' energy: -25.671 flat angles P-C4'-P energy: -14.523 tors. eta vs tors. theta energy: -6.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -195.518021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.518021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.518021 (E_RNA) where: Base-Base interactions energy: -111.972 where: short stacking energy: -67.652 Base-Backbone interact. energy: -0.050 local terms energy: -83.495494 where: bonds (distance) C4'-P energy: -16.734 bonds (distance) P-C4' energy: -21.911 flat angles C4'-P-C4' energy: -20.919 flat angles P-C4'-P energy: -10.102 tors. eta vs tors. theta energy: -13.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -240.776521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.776521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.776521 (E_RNA) where: Base-Base interactions energy: -140.192 where: short stacking energy: -62.586 Base-Backbone interact. energy: -0.490 local terms energy: -100.095026 where: bonds (distance) C4'-P energy: -24.951 bonds (distance) P-C4' energy: -26.604 flat angles C4'-P-C4' energy: -22.035 flat angles P-C4'-P energy: -15.426 tors. eta vs tors. theta energy: -11.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -227.437945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.437945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.437945 (E_RNA) where: Base-Base interactions energy: -145.388 where: short stacking energy: -70.079 Base-Backbone interact. energy: -0.238 local terms energy: -81.812225 where: bonds (distance) C4'-P energy: -19.755 bonds (distance) P-C4' energy: -17.993 flat angles C4'-P-C4' energy: -20.843 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -12.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -397.326307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.326307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.326307 (E_RNA) where: Base-Base interactions energy: -267.064 where: short stacking energy: -115.209 Base-Backbone interact. energy: -1.873 local terms energy: -128.389536 where: bonds (distance) C4'-P energy: -22.707 bonds (distance) P-C4' energy: -26.302 flat angles C4'-P-C4' energy: -25.114 flat angles P-C4'-P energy: -20.910 tors. eta vs tors. theta energy: -33.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -394.356552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.356552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.356552 (E_RNA) where: Base-Base interactions energy: -272.803 where: short stacking energy: -116.157 Base-Backbone interact. energy: -0.779 local terms energy: -120.774584 where: bonds (distance) C4'-P energy: -17.949 bonds (distance) P-C4' energy: -23.096 flat angles C4'-P-C4' energy: -25.766 flat angles P-C4'-P energy: -17.378 tors. eta vs tors. theta energy: -36.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -369.411591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.411591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.411591 (E_RNA) where: Base-Base interactions energy: -251.193 where: short stacking energy: -103.898 Base-Backbone interact. energy: -1.878 local terms energy: -116.340549 where: bonds (distance) C4'-P energy: -16.670 bonds (distance) P-C4' energy: -28.383 flat angles C4'-P-C4' energy: -25.062 flat angles P-C4'-P energy: -17.887 tors. eta vs tors. theta energy: -28.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -353.776144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.776144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.776144 (E_RNA) where: Base-Base interactions energy: -245.861 where: short stacking energy: -103.312 Base-Backbone interact. energy: -1.165 local terms energy: -106.750125 where: bonds (distance) C4'-P energy: -23.430 bonds (distance) P-C4' energy: -20.027 flat angles C4'-P-C4' energy: -22.588 flat angles P-C4'-P energy: -13.450 tors. eta vs tors. theta energy: -27.256 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: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -356.924295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.924295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.924295 (E_RNA) where: Base-Base interactions energy: -234.714 where: short stacking energy: -116.082 Base-Backbone interact. energy: -0.003 local terms energy: -122.207160 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -23.579 flat angles C4'-P-C4' energy: -28.281 flat angles P-C4'-P energy: -17.228 tors. eta vs tors. theta energy: -36.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -220.860686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.860686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.860686 (E_RNA) where: Base-Base interactions energy: -122.091 where: short stacking energy: -74.015 Base-Backbone interact. energy: -0.269 local terms energy: -98.500695 where: bonds (distance) C4'-P energy: -17.797 bonds (distance) P-C4' energy: -23.316 flat angles C4'-P-C4' energy: -25.287 flat angles P-C4'-P energy: -14.642 tors. eta vs tors. theta energy: -17.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -232.119687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.119687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.119687 (E_RNA) where: Base-Base interactions energy: -149.892 where: short stacking energy: -72.347 Base-Backbone interact. energy: -0.485 local terms energy: -81.742249 where: bonds (distance) C4'-P energy: -16.115 bonds (distance) P-C4' energy: -24.645 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -16.716 tors. eta vs tors. theta energy: -12.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -236.760343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.760343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.760343 (E_RNA) where: Base-Base interactions energy: -149.397 where: short stacking energy: -71.406 Base-Backbone interact. energy: -0.131 local terms energy: -87.232894 where: bonds (distance) C4'-P energy: -19.425 bonds (distance) P-C4' energy: -22.838 flat angles C4'-P-C4' energy: -18.063 flat angles P-C4'-P energy: -16.861 tors. eta vs tors. theta energy: -10.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -184.607197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.607197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.607197 (E_RNA) where: Base-Base interactions energy: -97.729 where: short stacking energy: -50.382 Base-Backbone interact. energy: -0.783 local terms energy: -86.094619 where: bonds (distance) C4'-P energy: -24.294 bonds (distance) P-C4' energy: -22.438 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -16.121 tors. eta vs tors. theta energy: -8.563 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: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -213.668023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.668023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.668023 (E_RNA) where: Base-Base interactions energy: -139.425 where: short stacking energy: -56.804 Base-Backbone interact. energy: -0.336 local terms energy: -73.906404 where: bonds (distance) C4'-P energy: -21.392 bonds (distance) P-C4' energy: -20.038 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -7.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -411.732618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.732618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.732618 (E_RNA) where: Base-Base interactions energy: -278.121 where: short stacking energy: -128.473 Base-Backbone interact. energy: -0.939 local terms energy: -132.673020 where: bonds (distance) C4'-P energy: -24.058 bonds (distance) P-C4' energy: -24.565 flat angles C4'-P-C4' energy: -23.012 flat angles P-C4'-P energy: -20.952 tors. eta vs tors. theta energy: -40.086 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: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -390.503540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.503540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.503540 (E_RNA) where: Base-Base interactions energy: -271.465 where: short stacking energy: -119.592 Base-Backbone interact. energy: -0.865 local terms energy: -118.173517 where: bonds (distance) C4'-P energy: -23.811 bonds (distance) P-C4' energy: -18.438 flat angles C4'-P-C4' energy: -24.933 flat angles P-C4'-P energy: -18.605 tors. eta vs tors. theta energy: -32.387 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: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -367.100196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.100196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.100196 (E_RNA) where: Base-Base interactions energy: -248.137 where: short stacking energy: -106.787 Base-Backbone interact. energy: 0.208 local terms energy: -119.171066 where: bonds (distance) C4'-P energy: -23.147 bonds (distance) P-C4' energy: -23.866 flat angles C4'-P-C4' energy: -24.911 flat angles P-C4'-P energy: -18.821 tors. eta vs tors. theta energy: -28.426 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: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -348.620316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.620316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.620316 (E_RNA) where: Base-Base interactions energy: -239.836 where: short stacking energy: -99.410 Base-Backbone interact. energy: -0.256 local terms energy: -108.528117 where: bonds (distance) C4'-P energy: -23.173 bonds (distance) P-C4' energy: -20.392 flat angles C4'-P-C4' energy: -23.736 flat angles P-C4'-P energy: -17.302 tors. eta vs tors. theta energy: -23.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -356.455453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.455453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.455453 (E_RNA) where: Base-Base interactions energy: -234.823 where: short stacking energy: -118.018 Base-Backbone interact. energy: -0.229 local terms energy: -121.403259 where: bonds (distance) C4'-P energy: -21.741 bonds (distance) P-C4' energy: -21.032 flat angles C4'-P-C4' energy: -22.825 flat angles P-C4'-P energy: -18.319 tors. eta vs tors. theta energy: -37.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -206.547619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.547619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.547619 (E_RNA) where: Base-Base interactions energy: -117.054 where: short stacking energy: -57.260 Base-Backbone interact. energy: -0.078 local terms energy: -89.415435 where: bonds (distance) C4'-P energy: -17.097 bonds (distance) P-C4' energy: -26.311 flat angles C4'-P-C4' energy: -18.931 flat angles P-C4'-P energy: -15.119 tors. eta vs tors. theta energy: -11.957 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: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -246.513270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.513270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.513270 (E_RNA) where: Base-Base interactions energy: -151.618 where: short stacking energy: -78.543 Base-Backbone interact. energy: -0.480 local terms energy: -94.415925 where: bonds (distance) C4'-P energy: -21.756 bonds (distance) P-C4' energy: -20.103 flat angles C4'-P-C4' energy: -18.622 flat angles P-C4'-P energy: -14.242 tors. eta vs tors. theta energy: -19.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -250.420146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.420146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.420146 (E_RNA) where: Base-Base interactions energy: -164.553 where: short stacking energy: -72.224 Base-Backbone interact. energy: -0.115 local terms energy: -85.752564 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -20.078 flat angles C4'-P-C4' energy: -24.822 flat angles P-C4'-P energy: -13.730 tors. eta vs tors. theta energy: -12.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -249.347630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.347630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.347630 (E_RNA) where: Base-Base interactions energy: -163.703 where: short stacking energy: -75.555 Base-Backbone interact. energy: -0.145 local terms energy: -85.499756 where: bonds (distance) C4'-P energy: -19.744 bonds (distance) P-C4' energy: -16.158 flat angles C4'-P-C4' energy: -19.107 flat angles P-C4'-P energy: -15.422 tors. eta vs tors. theta energy: -15.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -183.666553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.666553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.666553 (E_RNA) where: Base-Base interactions energy: -105.183 where: short stacking energy: -51.424 Base-Backbone interact. energy: 0.062 local terms energy: -78.545721 where: bonds (distance) C4'-P energy: -21.702 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -20.428 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: -13.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -409.376193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.376193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.376193 (E_RNA) where: Base-Base interactions energy: -283.035 where: short stacking energy: -119.463 Base-Backbone interact. energy: -0.165 local terms energy: -126.176031 where: bonds (distance) C4'-P energy: -24.786 bonds (distance) P-C4' energy: -24.433 flat angles C4'-P-C4' energy: -23.944 flat angles P-C4'-P energy: -16.479 tors. eta vs tors. theta energy: -36.534 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: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -393.302319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.302319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.302319 (E_RNA) where: Base-Base interactions energy: -265.416 where: short stacking energy: -114.426 Base-Backbone interact. energy: -0.990 local terms energy: -126.896809 where: bonds (distance) C4'-P energy: -26.548 bonds (distance) P-C4' energy: -22.016 flat angles C4'-P-C4' energy: -23.855 flat angles P-C4'-P energy: -19.554 tors. eta vs tors. theta energy: -34.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -374.106976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.106976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.106976 (E_RNA) where: Base-Base interactions energy: -258.999 where: short stacking energy: -108.071 Base-Backbone interact. energy: -1.264 local terms energy: -113.844438 where: bonds (distance) C4'-P energy: -24.198 bonds (distance) P-C4' energy: -22.008 flat angles C4'-P-C4' energy: -22.152 flat angles P-C4'-P energy: -15.125 tors. eta vs tors. theta energy: -30.361 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: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -366.083678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.083678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.083678 (E_RNA) where: Base-Base interactions energy: -236.875 where: short stacking energy: -123.320 Base-Backbone interact. energy: -0.544 local terms energy: -128.664529 where: bonds (distance) C4'-P energy: -25.311 bonds (distance) P-C4' energy: -24.377 flat angles C4'-P-C4' energy: -25.111 flat angles P-C4'-P energy: -18.140 tors. eta vs tors. theta energy: -35.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -350.396098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.396098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.396098 (E_RNA) where: Base-Base interactions energy: -243.643 where: short stacking energy: -115.051 Base-Backbone interact. energy: 0.586 local terms energy: -107.339174 where: bonds (distance) C4'-P energy: -19.256 bonds (distance) P-C4' energy: -22.290 flat angles C4'-P-C4' energy: -21.329 flat angles P-C4'-P energy: -15.809 tors. eta vs tors. theta energy: -28.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -278.252524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.252524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.252524 (E_RNA) where: Base-Base interactions energy: -167.503 where: short stacking energy: -78.727 Base-Backbone interact. energy: 1.129 local terms energy: -111.878051 where: bonds (distance) C4'-P energy: -26.682 bonds (distance) P-C4' energy: -23.549 flat angles C4'-P-C4' energy: -22.933 flat angles P-C4'-P energy: -15.758 tors. eta vs tors. theta energy: -22.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -207.331088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.331088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.331088 (E_RNA) where: Base-Base interactions energy: -112.519 where: short stacking energy: -80.391 Base-Backbone interact. energy: -0.589 local terms energy: -94.223507 where: bonds (distance) C4'-P energy: -23.831 bonds (distance) P-C4' energy: -20.225 flat angles C4'-P-C4' energy: -19.941 flat angles P-C4'-P energy: -16.528 tors. eta vs tors. theta energy: -13.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -244.336679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.336679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.336679 (E_RNA) where: Base-Base interactions energy: -149.468 where: short stacking energy: -64.202 Base-Backbone interact. energy: -1.630 local terms energy: -93.238585 where: bonds (distance) C4'-P energy: -18.727 bonds (distance) P-C4' energy: -24.744 flat angles C4'-P-C4' energy: -19.625 flat angles P-C4'-P energy: -14.632 tors. eta vs tors. theta energy: -15.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -212.092217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.092217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.092217 (E_RNA) where: Base-Base interactions energy: -139.694 where: short stacking energy: -56.638 Base-Backbone interact. energy: -1.506 local terms energy: -70.892666 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -15.822 flat angles C4'-P-C4' energy: -20.880 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -6.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -166.082110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.082110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.082110 (E_RNA) where: Base-Base interactions energy: -87.844 where: short stacking energy: -41.691 Base-Backbone interact. energy: -0.954 local terms energy: -77.284678 where: bonds (distance) C4'-P energy: -21.442 bonds (distance) P-C4' energy: -18.286 flat angles C4'-P-C4' energy: -20.728 flat angles P-C4'-P energy: -17.131 tors. eta vs tors. theta energy: 0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -416.998313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.998313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.998313 (E_RNA) where: Base-Base interactions energy: -278.394 where: short stacking energy: -119.734 Base-Backbone interact. energy: -0.219 local terms energy: -138.385259 where: bonds (distance) C4'-P energy: -26.712 bonds (distance) P-C4' energy: -26.011 flat angles C4'-P-C4' energy: -29.043 flat angles P-C4'-P energy: -20.246 tors. eta vs tors. theta energy: -36.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -404.151969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.151969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.151969 (E_RNA) where: Base-Base interactions energy: -276.538 where: short stacking energy: -123.806 Base-Backbone interact. energy: -1.038 local terms energy: -126.576418 where: bonds (distance) C4'-P energy: -25.422 bonds (distance) P-C4' energy: -24.563 flat angles C4'-P-C4' energy: -25.336 flat angles P-C4'-P energy: -15.177 tors. eta vs tors. theta energy: -36.078 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: 4 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -371.079835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.079835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.079835 (E_RNA) where: Base-Base interactions energy: -246.358 where: short stacking energy: -124.628 Base-Backbone interact. energy: -0.002 local terms energy: -124.719220 where: bonds (distance) C4'-P energy: -23.277 bonds (distance) P-C4' energy: -19.018 flat angles C4'-P-C4' energy: -22.862 flat angles P-C4'-P energy: -18.399 tors. eta vs tors. theta energy: -41.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -371.882638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.882638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.882638 (E_RNA) where: Base-Base interactions energy: -250.718 where: short stacking energy: -107.838 Base-Backbone interact. energy: -0.169 local terms energy: -120.995122 where: bonds (distance) C4'-P energy: -22.195 bonds (distance) P-C4' energy: -21.767 flat angles C4'-P-C4' energy: -24.926 flat angles P-C4'-P energy: -17.304 tors. eta vs tors. theta energy: -34.803 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: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -365.838774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.838774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.838774 (E_RNA) where: Base-Base interactions energy: -240.570 where: short stacking energy: -108.186 Base-Backbone interact. energy: -0.709 local terms energy: -124.560053 where: bonds (distance) C4'-P energy: -23.168 bonds (distance) P-C4' energy: -24.274 flat angles C4'-P-C4' energy: -27.161 flat angles P-C4'-P energy: -17.198 tors. eta vs tors. theta energy: -32.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -262.664236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.664236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.664236 (E_RNA) where: Base-Base interactions energy: -162.120 where: short stacking energy: -79.448 Base-Backbone interact. energy: -0.174 local terms energy: -100.370729 where: bonds (distance) C4'-P energy: -18.820 bonds (distance) P-C4' energy: -22.312 flat angles C4'-P-C4' energy: -19.926 flat angles P-C4'-P energy: -18.334 tors. eta vs tors. theta energy: -20.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -239.240368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.240368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.240368 (E_RNA) where: Base-Base interactions energy: -147.672 where: short stacking energy: -75.521 Base-Backbone interact. energy: -0.469 local terms energy: -91.099031 where: bonds (distance) C4'-P energy: -23.697 bonds (distance) P-C4' energy: -25.327 flat angles C4'-P-C4' energy: -15.764 flat angles P-C4'-P energy: -12.458 tors. eta vs tors. theta energy: -13.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -217.960047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.960047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.960047 (E_RNA) where: Base-Base interactions energy: -126.925 where: short stacking energy: -74.157 Base-Backbone interact. energy: -1.405 local terms energy: -89.629662 where: bonds (distance) C4'-P energy: -19.122 bonds (distance) P-C4' energy: -21.025 flat angles C4'-P-C4' energy: -22.119 flat angles P-C4'-P energy: -13.209 tors. eta vs tors. theta energy: -14.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -183.904772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.904772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.904772 (E_RNA) where: Base-Base interactions energy: -94.503 where: short stacking energy: -54.970 Base-Backbone interact. energy: -0.207 local terms energy: -89.195028 where: bonds (distance) C4'-P energy: -20.766 bonds (distance) P-C4' energy: -20.402 flat angles C4'-P-C4' energy: -25.967 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -12.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -169.684694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.684694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.684694 (E_RNA) where: Base-Base interactions energy: -103.543 where: short stacking energy: -52.695 Base-Backbone interact. energy: -0.562 local terms energy: -65.580140 where: bonds (distance) C4'-P energy: -18.519 bonds (distance) P-C4' energy: -23.545 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -12.160 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: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -412.327262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.327262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.327262 (E_RNA) where: Base-Base interactions energy: -281.780 where: short stacking energy: -120.673 Base-Backbone interact. energy: -0.299 local terms energy: -130.247706 where: bonds (distance) C4'-P energy: -25.304 bonds (distance) P-C4' energy: -27.185 flat angles C4'-P-C4' energy: -24.444 flat angles P-C4'-P energy: -16.944 tors. eta vs tors. theta energy: -36.370 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: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -402.955508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.955508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.955508 (E_RNA) where: Base-Base interactions energy: -275.119 where: short stacking energy: -118.043 Base-Backbone interact. energy: 0.826 local terms energy: -128.662304 where: bonds (distance) C4'-P energy: -23.730 bonds (distance) P-C4' energy: -24.370 flat angles C4'-P-C4' energy: -23.804 flat angles P-C4'-P energy: -19.507 tors. eta vs tors. theta energy: -37.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -359.301303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.301303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.301303 (E_RNA) where: Base-Base interactions energy: -228.720 where: short stacking energy: -124.982 Base-Backbone interact. energy: -0.841 local terms energy: -129.739598 where: bonds (distance) C4'-P energy: -23.009 bonds (distance) P-C4' energy: -24.369 flat angles C4'-P-C4' energy: -24.268 flat angles P-C4'-P energy: -18.301 tors. eta vs tors. theta energy: -39.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -366.861693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.861693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.861693 (E_RNA) where: Base-Base interactions energy: -244.994 where: short stacking energy: -111.755 Base-Backbone interact. energy: -0.322 local terms energy: -121.545587 where: bonds (distance) C4'-P energy: -23.171 bonds (distance) P-C4' energy: -22.702 flat angles C4'-P-C4' energy: -25.888 flat angles P-C4'-P energy: -17.740 tors. eta vs tors. theta energy: -32.045 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: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -361.878925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.878925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.878925 (E_RNA) where: Base-Base interactions energy: -242.805 where: short stacking energy: -104.637 Base-Backbone interact. energy: -0.404 local terms energy: -118.670055 where: bonds (distance) C4'-P energy: -23.234 bonds (distance) P-C4' energy: -23.073 flat angles C4'-P-C4' energy: -23.882 flat angles P-C4'-P energy: -17.744 tors. eta vs tors. theta energy: -30.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -254.612233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.612233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.612233 (E_RNA) where: Base-Base interactions energy: -164.300 where: short stacking energy: -79.776 Base-Backbone interact. energy: -0.302 local terms energy: -90.010013 where: bonds (distance) C4'-P energy: -17.066 bonds (distance) P-C4' energy: -25.963 flat angles C4'-P-C4' energy: -24.797 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: -14.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -252.368467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.368467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.368467 (E_RNA) where: Base-Base interactions energy: -157.417 where: short stacking energy: -66.667 Base-Backbone interact. energy: -0.141 local terms energy: -94.810550 where: bonds (distance) C4'-P energy: -19.822 bonds (distance) P-C4' energy: -21.140 flat angles C4'-P-C4' energy: -23.983 flat angles P-C4'-P energy: -15.579 tors. eta vs tors. theta energy: -14.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -233.201952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.201952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.201952 (E_RNA) where: Base-Base interactions energy: -145.404 where: short stacking energy: -73.442 Base-Backbone interact. energy: -0.318 local terms energy: -87.479834 where: bonds (distance) C4'-P energy: -21.003 bonds (distance) P-C4' energy: -20.422 flat angles C4'-P-C4' energy: -22.973 flat angles P-C4'-P energy: -12.256 tors. eta vs tors. theta energy: -10.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -215.567573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.567573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.567573 (E_RNA) where: Base-Base interactions energy: -141.275 where: short stacking energy: -67.272 Base-Backbone interact. energy: -0.180 local terms energy: -74.112868 where: bonds (distance) C4'-P energy: -16.014 bonds (distance) P-C4' energy: -18.307 flat angles C4'-P-C4' energy: -22.840 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -181.896612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.896612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.896612 (E_RNA) where: Base-Base interactions energy: -101.057 where: short stacking energy: -50.431 Base-Backbone interact. energy: -0.730 local terms energy: -80.109552 where: bonds (distance) C4'-P energy: -25.967 bonds (distance) P-C4' energy: -17.042 flat angles C4'-P-C4' energy: -23.706 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -406.304303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.304303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.304303 (E_RNA) where: Base-Base interactions energy: -282.735 where: short stacking energy: -113.074 Base-Backbone interact. energy: -1.393 local terms energy: -122.176302 where: bonds (distance) C4'-P energy: -23.676 bonds (distance) P-C4' energy: -22.402 flat angles C4'-P-C4' energy: -27.685 flat angles P-C4'-P energy: -17.931 tors. eta vs tors. theta energy: -30.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -385.654396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.654396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.654396 (E_RNA) where: Base-Base interactions energy: -270.528 where: short stacking energy: -125.102 Base-Backbone interact. energy: -0.355 local terms energy: -114.771446 where: bonds (distance) C4'-P energy: -20.825 bonds (distance) P-C4' energy: -21.439 flat angles C4'-P-C4' energy: -23.089 flat angles P-C4'-P energy: -17.627 tors. eta vs tors. theta energy: -31.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -368.906849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.906849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.906849 (E_RNA) where: Base-Base interactions energy: -247.069 where: short stacking energy: -111.221 Base-Backbone interact. energy: -0.909 local terms energy: -120.928611 where: bonds (distance) C4'-P energy: -24.522 bonds (distance) P-C4' energy: -20.791 flat angles C4'-P-C4' energy: -23.109 flat angles P-C4'-P energy: -18.478 tors. eta vs tors. theta energy: -34.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -347.822698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.822698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.822698 (E_RNA) where: Base-Base interactions energy: -220.893 where: short stacking energy: -109.662 Base-Backbone interact. energy: -2.090 local terms energy: -124.839352 where: bonds (distance) C4'-P energy: -24.133 bonds (distance) P-C4' energy: -22.752 flat angles C4'-P-C4' energy: -26.984 flat angles P-C4'-P energy: -19.439 tors. eta vs tors. theta energy: -31.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -355.694226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.694226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.694226 (E_RNA) where: Base-Base interactions energy: -240.115 where: short stacking energy: -101.335 Base-Backbone interact. energy: -0.010 local terms energy: -115.568554 where: bonds (distance) C4'-P energy: -17.094 bonds (distance) P-C4' energy: -24.275 flat angles C4'-P-C4' energy: -25.541 flat angles P-C4'-P energy: -18.776 tors. eta vs tors. theta energy: -29.883 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: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -249.523793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.523793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.523793 (E_RNA) where: Base-Base interactions energy: -162.099 where: short stacking energy: -81.101 Base-Backbone interact. energy: -0.804 local terms energy: -86.620454 where: bonds (distance) C4'-P energy: -19.450 bonds (distance) P-C4' energy: -21.874 flat angles C4'-P-C4' energy: -19.559 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -16.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -227.317391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.317391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.317391 (E_RNA) where: Base-Base interactions energy: -150.810 where: short stacking energy: -77.266 Base-Backbone interact. energy: 1.636 local terms energy: -78.144085 where: bonds (distance) C4'-P energy: -11.058 bonds (distance) P-C4' energy: -22.547 flat angles C4'-P-C4' energy: -18.548 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -16.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -237.053991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.053991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.053991 (E_RNA) where: Base-Base interactions energy: -142.043 where: short stacking energy: -66.953 Base-Backbone interact. energy: -1.170 local terms energy: -93.841549 where: bonds (distance) C4'-P energy: -24.349 bonds (distance) P-C4' energy: -26.814 flat angles C4'-P-C4' energy: -21.340 flat angles P-C4'-P energy: -8.712 tors. eta vs tors. theta energy: -12.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -256.512730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.512730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.512730 (E_RNA) where: Base-Base interactions energy: -180.760 where: short stacking energy: -73.194 Base-Backbone interact. energy: -0.338 local terms energy: -75.414872 where: bonds (distance) C4'-P energy: -12.450 bonds (distance) P-C4' energy: -16.273 flat angles C4'-P-C4' energy: -20.018 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -180.186499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.186499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.186499 (E_RNA) where: Base-Base interactions energy: -101.456 where: short stacking energy: -51.760 Base-Backbone interact. energy: 0.060 local terms energy: -78.790894 where: bonds (distance) C4'-P energy: -21.234 bonds (distance) P-C4' energy: -19.096 flat angles C4'-P-C4' energy: -19.387 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -409.519793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.519793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.519793 (E_RNA) where: Base-Base interactions energy: -289.341 where: short stacking energy: -121.699 Base-Backbone interact. energy: -0.807 local terms energy: -119.371634 where: bonds (distance) C4'-P energy: -20.203 bonds (distance) P-C4' energy: -25.176 flat angles C4'-P-C4' energy: -27.566 flat angles P-C4'-P energy: -15.647 tors. eta vs tors. theta energy: -30.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -390.360269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.360269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.360269 (E_RNA) where: Base-Base interactions energy: -254.733 where: short stacking energy: -123.443 Base-Backbone interact. energy: -1.456 local terms energy: -134.171313 where: bonds (distance) C4'-P energy: -24.384 bonds (distance) P-C4' energy: -24.880 flat angles C4'-P-C4' energy: -28.254 flat angles P-C4'-P energy: -20.379 tors. eta vs tors. theta energy: -36.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -377.754404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.754404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.754404 (E_RNA) where: Base-Base interactions energy: -247.073 where: short stacking energy: -112.537 Base-Backbone interact. energy: -0.897 local terms energy: -129.784522 where: bonds (distance) C4'-P energy: -26.598 bonds (distance) P-C4' energy: -25.819 flat angles C4'-P-C4' energy: -28.400 flat angles P-C4'-P energy: -16.070 tors. eta vs tors. theta energy: -32.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -377.934125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.934125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.934125 (E_RNA) where: Base-Base interactions energy: -254.481 where: short stacking energy: -109.084 Base-Backbone interact. energy: -1.014 local terms energy: -122.439455 where: bonds (distance) C4'-P energy: -21.801 bonds (distance) P-C4' energy: -22.525 flat angles C4'-P-C4' energy: -28.206 flat angles P-C4'-P energy: -17.092 tors. eta vs tors. theta energy: -32.815 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: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -350.076768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.076768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.076768 (E_RNA) where: Base-Base interactions energy: -228.370 where: short stacking energy: -108.378 Base-Backbone interact. energy: -1.103 local terms energy: -120.603895 where: bonds (distance) C4'-P energy: -18.796 bonds (distance) P-C4' energy: -25.133 flat angles C4'-P-C4' energy: -26.088 flat angles P-C4'-P energy: -16.462 tors. eta vs tors. theta energy: -34.125 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: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -247.871407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.871407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.871407 (E_RNA) where: Base-Base interactions energy: -155.285 where: short stacking energy: -67.487 Base-Backbone interact. energy: -0.190 local terms energy: -92.396514 where: bonds (distance) C4'-P energy: -19.798 bonds (distance) P-C4' energy: -20.984 flat angles C4'-P-C4' energy: -17.196 flat angles P-C4'-P energy: -20.111 tors. eta vs tors. theta energy: -14.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -196.112903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.112903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.112903 (E_RNA) where: Base-Base interactions energy: -117.141 where: short stacking energy: -69.697 Base-Backbone interact. energy: 0.903 local terms energy: -79.874367 where: bonds (distance) C4'-P energy: -20.995 bonds (distance) P-C4' energy: -19.293 flat angles C4'-P-C4' energy: -18.289 flat angles P-C4'-P energy: -14.590 tors. eta vs tors. theta energy: -6.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -285.499584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.499584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.499584 (E_RNA) where: Base-Base interactions energy: -191.212 where: short stacking energy: -82.901 Base-Backbone interact. energy: -0.136 local terms energy: -94.151533 where: bonds (distance) C4'-P energy: -17.416 bonds (distance) P-C4' energy: -25.789 flat angles C4'-P-C4' energy: -24.752 flat angles P-C4'-P energy: -11.659 tors. eta vs tors. theta energy: -14.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -222.762774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.762774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.762774 (E_RNA) where: Base-Base interactions energy: -142.688 where: short stacking energy: -68.080 Base-Backbone interact. energy: -0.335 local terms energy: -79.739437 where: bonds (distance) C4'-P energy: -19.426 bonds (distance) P-C4' energy: -19.791 flat angles C4'-P-C4' energy: -18.214 flat angles P-C4'-P energy: -12.435 tors. eta vs tors. theta energy: -9.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -177.806446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.806446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.806446 (E_RNA) where: Base-Base interactions energy: -96.942 where: short stacking energy: -52.753 Base-Backbone interact. energy: -0.513 local terms energy: -80.351479 where: bonds (distance) C4'-P energy: -21.295 bonds (distance) P-C4' energy: -17.231 flat angles C4'-P-C4' energy: -22.485 flat angles P-C4'-P energy: -11.470 tors. eta vs tors. theta energy: -7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -417.023962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.023962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.023962 (E_RNA) where: Base-Base interactions energy: -284.004 where: short stacking energy: -121.877 Base-Backbone interact. energy: -0.802 local terms energy: -132.218575 where: bonds (distance) C4'-P energy: -23.084 bonds (distance) P-C4' energy: -24.689 flat angles C4'-P-C4' energy: -29.166 flat angles P-C4'-P energy: -22.039 tors. eta vs tors. theta energy: -33.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -381.354527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.354527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.354527 (E_RNA) where: Base-Base interactions energy: -257.701 where: short stacking energy: -108.181 Base-Backbone interact. energy: 0.227 local terms energy: -123.880525 where: bonds (distance) C4'-P energy: -25.263 bonds (distance) P-C4' energy: -25.563 flat angles C4'-P-C4' energy: -26.107 flat angles P-C4'-P energy: -19.002 tors. eta vs tors. theta energy: -27.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -403.069817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.069817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.069817 (E_RNA) where: Base-Base interactions energy: -282.218 where: short stacking energy: -128.258 Base-Backbone interact. energy: -0.012 local terms energy: -120.839715 where: bonds (distance) C4'-P energy: -26.004 bonds (distance) P-C4' energy: -19.615 flat angles C4'-P-C4' energy: -24.272 flat angles P-C4'-P energy: -13.753 tors. eta vs tors. theta energy: -37.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -359.975577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.975577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.975577 (E_RNA) where: Base-Base interactions energy: -237.097 where: short stacking energy: -102.829 Base-Backbone interact. energy: -1.179 local terms energy: -121.699821 where: bonds (distance) C4'-P energy: -23.843 bonds (distance) P-C4' energy: -23.841 flat angles C4'-P-C4' energy: -25.817 flat angles P-C4'-P energy: -16.507 tors. eta vs tors. theta energy: -31.691 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: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -323.946869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.946869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.946869 (E_RNA) where: Base-Base interactions energy: -213.358 where: short stacking energy: -111.339 Base-Backbone interact. energy: -0.965 local terms energy: -109.624292 where: bonds (distance) C4'-P energy: -22.953 bonds (distance) P-C4' energy: -22.606 flat angles C4'-P-C4' energy: -21.658 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -31.547 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: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -260.304669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.304669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.304669 (E_RNA) where: Base-Base interactions energy: -157.770 where: short stacking energy: -77.125 Base-Backbone interact. energy: -1.167 local terms energy: -101.368201 where: bonds (distance) C4'-P energy: -24.387 bonds (distance) P-C4' energy: -23.237 flat angles C4'-P-C4' energy: -25.937 flat angles P-C4'-P energy: -15.720 tors. eta vs tors. theta energy: -12.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -295.008278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.008278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.008278 (E_RNA) where: Base-Base interactions energy: -202.515 where: short stacking energy: -90.735 Base-Backbone interact. energy: -0.068 local terms energy: -92.425339 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -21.740 flat angles C4'-P-C4' energy: -17.844 flat angles P-C4'-P energy: -13.757 tors. eta vs tors. theta energy: -23.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -201.370198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.370198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.370198 (E_RNA) where: Base-Base interactions energy: -115.575 where: short stacking energy: -68.204 Base-Backbone interact. energy: -0.230 local terms energy: -85.565829 where: bonds (distance) C4'-P energy: -21.164 bonds (distance) P-C4' energy: -19.889 flat angles C4'-P-C4' energy: -23.273 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -11.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -219.603912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.603912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.603912 (E_RNA) where: Base-Base interactions energy: -131.885 where: short stacking energy: -55.575 Base-Backbone interact. energy: -0.203 local terms energy: -87.515834 where: bonds (distance) C4'-P energy: -22.671 bonds (distance) P-C4' energy: -23.970 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -182.451523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.451523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.451523 (E_RNA) where: Base-Base interactions energy: -89.522 where: short stacking energy: -51.597 Base-Backbone interact. energy: -0.217 local terms energy: -92.712636 where: bonds (distance) C4'-P energy: -19.753 bonds (distance) P-C4' energy: -19.013 flat angles C4'-P-C4' energy: -22.593 flat angles P-C4'-P energy: -17.447 tors. eta vs tors. theta energy: -13.907 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: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -394.676116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.676116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.676116 (E_RNA) where: Base-Base interactions energy: -267.656 where: short stacking energy: -116.184 Base-Backbone interact. energy: -0.349 local terms energy: -126.670184 where: bonds (distance) C4'-P energy: -23.960 bonds (distance) P-C4' energy: -21.257 flat angles C4'-P-C4' energy: -26.344 flat angles P-C4'-P energy: -19.933 tors. eta vs tors. theta energy: -35.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -364.793998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.793998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.793998 (E_RNA) where: Base-Base interactions energy: -244.952 where: short stacking energy: -102.256 Base-Backbone interact. energy: -1.630 local terms energy: -118.212528 where: bonds (distance) C4'-P energy: -25.151 bonds (distance) P-C4' energy: -20.766 flat angles C4'-P-C4' energy: -21.090 flat angles P-C4'-P energy: -22.082 tors. eta vs tors. theta energy: -29.123 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: 1 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -368.859655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.859655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.859655 (E_RNA) where: Base-Base interactions energy: -256.418 where: short stacking energy: -113.659 Base-Backbone interact. energy: 0.160 local terms energy: -112.602412 where: bonds (distance) C4'-P energy: -20.194 bonds (distance) P-C4' energy: -19.512 flat angles C4'-P-C4' energy: -23.961 flat angles P-C4'-P energy: -17.378 tors. eta vs tors. theta energy: -31.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -379.157907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.157907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.157907 (E_RNA) where: Base-Base interactions energy: -252.493 where: short stacking energy: -103.924 Base-Backbone interact. energy: -0.013 local terms energy: -126.651763 where: bonds (distance) C4'-P energy: -23.544 bonds (distance) P-C4' energy: -27.463 flat angles C4'-P-C4' energy: -26.267 flat angles P-C4'-P energy: -17.251 tors. eta vs tors. theta energy: -32.127 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: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -346.772527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.772527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.772527 (E_RNA) where: Base-Base interactions energy: -235.958 where: short stacking energy: -120.270 Base-Backbone interact. energy: -0.329 local terms energy: -110.485785 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -24.384 flat angles C4'-P-C4' energy: -26.174 flat angles P-C4'-P energy: -15.479 tors. eta vs tors. theta energy: -32.166 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: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -259.661317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.661317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.661317 (E_RNA) where: Base-Base interactions energy: -171.556 where: short stacking energy: -85.894 Base-Backbone interact. energy: -1.428 local terms energy: -86.677069 where: bonds (distance) C4'-P energy: -18.216 bonds (distance) P-C4' energy: -11.492 flat angles C4'-P-C4' energy: -23.779 flat angles P-C4'-P energy: -16.439 tors. eta vs tors. theta energy: -16.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -264.636235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.636235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.636235 (E_RNA) where: Base-Base interactions energy: -169.458 where: short stacking energy: -90.815 Base-Backbone interact. energy: 0.068 local terms energy: -95.245869 where: bonds (distance) C4'-P energy: -20.734 bonds (distance) P-C4' energy: -18.055 flat angles C4'-P-C4' energy: -22.800 flat angles P-C4'-P energy: -14.463 tors. eta vs tors. theta energy: -19.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -242.875704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.875704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.875704 (E_RNA) where: Base-Base interactions energy: -136.601 where: short stacking energy: -70.282 Base-Backbone interact. energy: -1.453 local terms energy: -104.821258 where: bonds (distance) C4'-P energy: -20.229 bonds (distance) P-C4' energy: -24.319 flat angles C4'-P-C4' energy: -26.646 flat angles P-C4'-P energy: -19.479 tors. eta vs tors. theta energy: -14.148 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: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -200.340452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.340452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.340452 (E_RNA) where: Base-Base interactions energy: -126.253 where: short stacking energy: -69.023 Base-Backbone interact. energy: -0.169 local terms energy: -73.917474 where: bonds (distance) C4'-P energy: -16.722 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -17.858 flat angles P-C4'-P energy: -13.124 tors. eta vs tors. theta energy: -10.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -189.952324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.952324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.952324 (E_RNA) where: Base-Base interactions energy: -122.378 where: short stacking energy: -65.443 Base-Backbone interact. energy: 1.046 local terms energy: -68.620756 where: bonds (distance) C4'-P energy: -9.063 bonds (distance) P-C4' energy: -15.976 flat angles C4'-P-C4' energy: -18.341 flat angles P-C4'-P energy: -12.586 tors. eta vs tors. theta energy: -12.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -377.713214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.713214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.713214 (E_RNA) where: Base-Base interactions energy: -255.497 where: short stacking energy: -107.452 Base-Backbone interact. energy: -0.897 local terms energy: -121.319239 where: bonds (distance) C4'-P energy: -26.736 bonds (distance) P-C4' energy: -20.047 flat angles C4'-P-C4' energy: -25.204 flat angles P-C4'-P energy: -19.799 tors. eta vs tors. theta energy: -29.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -370.562144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.562144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.562144 (E_RNA) where: Base-Base interactions energy: -249.445 where: short stacking energy: -107.849 Base-Backbone interact. energy: -1.019 local terms energy: -120.098414 where: bonds (distance) C4'-P energy: -22.369 bonds (distance) P-C4' energy: -26.820 flat angles C4'-P-C4' energy: -26.024 flat angles P-C4'-P energy: -14.112 tors. eta vs tors. theta energy: -30.773 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: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -372.390420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.390420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.390420 (E_RNA) where: Base-Base interactions energy: -264.791 where: short stacking energy: -117.247 Base-Backbone interact. energy: -2.158 local terms energy: -105.441244 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -21.150 flat angles C4'-P-C4' energy: -23.161 flat angles P-C4'-P energy: -12.568 tors. eta vs tors. theta energy: -35.352 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: 4, replica: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -395.958872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.958872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.958872 (E_RNA) where: Base-Base interactions energy: -266.762 where: short stacking energy: -117.311 Base-Backbone interact. energy: -0.910 local terms energy: -128.287505 where: bonds (distance) C4'-P energy: -24.100 bonds (distance) P-C4' energy: -21.863 flat angles C4'-P-C4' energy: -25.530 flat angles P-C4'-P energy: -18.637 tors. eta vs tors. theta energy: -38.159 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: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -349.734414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.734414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.734414 (E_RNA) where: Base-Base interactions energy: -225.408 where: short stacking energy: -109.950 Base-Backbone interact. energy: 0.036 local terms energy: -124.362369 where: bonds (distance) C4'-P energy: -25.001 bonds (distance) P-C4' energy: -28.594 flat angles C4'-P-C4' energy: -21.166 flat angles P-C4'-P energy: -17.542 tors. eta vs tors. theta energy: -32.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -249.160706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.160706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.160706 (E_RNA) where: Base-Base interactions energy: -153.252 where: short stacking energy: -66.491 Base-Backbone interact. energy: -0.654 local terms energy: -95.254217 where: bonds (distance) C4'-P energy: -22.635 bonds (distance) P-C4' energy: -22.742 flat angles C4'-P-C4' energy: -21.026 flat angles P-C4'-P energy: -13.689 tors. eta vs tors. theta energy: -15.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -266.645282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.645282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.645282 (E_RNA) where: Base-Base interactions energy: -169.299 where: short stacking energy: -85.580 Base-Backbone interact. energy: -0.661 local terms energy: -96.685325 where: bonds (distance) C4'-P energy: -23.400 bonds (distance) P-C4' energy: -17.559 flat angles C4'-P-C4' energy: -22.892 flat angles P-C4'-P energy: -16.207 tors. eta vs tors. theta energy: -16.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -217.225132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.225132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.225132 (E_RNA) where: Base-Base interactions energy: -129.175 where: short stacking energy: -67.476 Base-Backbone interact. energy: -1.147 local terms energy: -86.903269 where: bonds (distance) C4'-P energy: -21.952 bonds (distance) P-C4' energy: -15.785 flat angles C4'-P-C4' energy: -21.568 flat angles P-C4'-P energy: -13.664 tors. eta vs tors. theta energy: -13.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -205.574262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.574262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.574262 (E_RNA) where: Base-Base interactions energy: -122.312 where: short stacking energy: -61.797 Base-Backbone interact. energy: -0.353 local terms energy: -82.909195 where: bonds (distance) C4'-P energy: -20.936 bonds (distance) P-C4' energy: -16.296 flat angles C4'-P-C4' energy: -22.830 flat angles P-C4'-P energy: -13.395 tors. eta vs tors. theta energy: -9.452 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: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -182.891950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.891950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.891950 (E_RNA) where: Base-Base interactions energy: -114.661 where: short stacking energy: -54.353 Base-Backbone interact. energy: -0.206 local terms energy: -68.024634 where: bonds (distance) C4'-P energy: -16.124 bonds (distance) P-C4' energy: -27.613 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -368.735101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.735101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.735101 (E_RNA) where: Base-Base interactions energy: -244.819 where: short stacking energy: -109.097 Base-Backbone interact. energy: -2.489 local terms energy: -121.426943 where: bonds (distance) C4'-P energy: -21.726 bonds (distance) P-C4' energy: -26.449 flat angles C4'-P-C4' energy: -26.288 flat angles P-C4'-P energy: -20.045 tors. eta vs tors. theta energy: -26.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -370.870495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.870495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.870495 (E_RNA) where: Base-Base interactions energy: -255.592 where: short stacking energy: -111.464 Base-Backbone interact. energy: -1.391 local terms energy: -113.887272 where: bonds (distance) C4'-P energy: -23.565 bonds (distance) P-C4' energy: -18.315 flat angles C4'-P-C4' energy: -25.370 flat angles P-C4'-P energy: -15.748 tors. eta vs tors. theta energy: -30.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -368.534626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.534626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.534626 (E_RNA) where: Base-Base interactions energy: -248.565 where: short stacking energy: -118.091 Base-Backbone interact. energy: -0.553 local terms energy: -119.416581 where: bonds (distance) C4'-P energy: -18.846 bonds (distance) P-C4' energy: -23.719 flat angles C4'-P-C4' energy: -24.610 flat angles P-C4'-P energy: -19.975 tors. eta vs tors. theta energy: -32.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -382.083181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.083181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.083181 (E_RNA) where: Base-Base interactions energy: -259.100 where: short stacking energy: -111.004 Base-Backbone interact. energy: -1.057 local terms energy: -121.926511 where: bonds (distance) C4'-P energy: -23.322 bonds (distance) P-C4' energy: -24.021 flat angles C4'-P-C4' energy: -26.243 flat angles P-C4'-P energy: -16.237 tors. eta vs tors. theta energy: -32.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -341.824514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.824514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.824514 (E_RNA) where: Base-Base interactions energy: -223.582 where: short stacking energy: -105.175 Base-Backbone interact. energy: -0.172 local terms energy: -118.070076 where: bonds (distance) C4'-P energy: -28.338 bonds (distance) P-C4' energy: -21.465 flat angles C4'-P-C4' energy: -22.806 flat angles P-C4'-P energy: -16.437 tors. eta vs tors. theta energy: -29.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -304.464409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.464409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.464409 (E_RNA) where: Base-Base interactions energy: -194.034 where: short stacking energy: -98.420 Base-Backbone interact. energy: -0.240 local terms energy: -110.191218 where: bonds (distance) C4'-P energy: -21.751 bonds (distance) P-C4' energy: -17.286 flat angles C4'-P-C4' energy: -25.033 flat angles P-C4'-P energy: -20.862 tors. eta vs tors. theta energy: -25.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -244.623805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.623805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.623805 (E_RNA) where: Base-Base interactions energy: -161.505 where: short stacking energy: -68.705 Base-Backbone interact. energy: 0.565 local terms energy: -83.683341 where: bonds (distance) C4'-P energy: -19.881 bonds (distance) P-C4' energy: -21.067 flat angles C4'-P-C4' energy: -25.992 flat angles P-C4'-P energy: -9.200 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: 8, replica: 10 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -234.426028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.426028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.426028 (E_RNA) where: Base-Base interactions energy: -141.588 where: short stacking energy: -63.637 Base-Backbone interact. energy: -0.301 local terms energy: -92.536468 where: bonds (distance) C4'-P energy: -22.637 bonds (distance) P-C4' energy: -20.093 flat angles C4'-P-C4' energy: -21.289 flat angles P-C4'-P energy: -11.106 tors. eta vs tors. theta energy: -17.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -226.438350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.438350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.438350 (E_RNA) where: Base-Base interactions energy: -152.658 where: short stacking energy: -73.185 Base-Backbone interact. energy: -0.253 local terms energy: -73.527323 where: bonds (distance) C4'-P energy: -19.749 bonds (distance) P-C4' energy: -21.891 flat angles C4'-P-C4' energy: -19.359 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -8.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -186.041874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.041874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.041874 (E_RNA) where: Base-Base interactions energy: -106.560 where: short stacking energy: -60.019 Base-Backbone interact. energy: -0.151 local terms energy: -79.330042 where: bonds (distance) C4'-P energy: -22.801 bonds (distance) P-C4' energy: -22.894 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -14.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -389.368471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.368471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.368471 (E_RNA) where: Base-Base interactions energy: -274.178 where: short stacking energy: -116.947 Base-Backbone interact. energy: -0.221 local terms energy: -114.969252 where: bonds (distance) C4'-P energy: -18.999 bonds (distance) P-C4' energy: -23.080 flat angles C4'-P-C4' energy: -25.303 flat angles P-C4'-P energy: -15.608 tors. eta vs tors. theta energy: -31.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -355.979295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.979295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.979295 (E_RNA) where: Base-Base interactions energy: -239.019 where: short stacking energy: -106.981 Base-Backbone interact. energy: -1.472 local terms energy: -115.488006 where: bonds (distance) C4'-P energy: -20.408 bonds (distance) P-C4' energy: -27.941 flat angles C4'-P-C4' energy: -24.813 flat angles P-C4'-P energy: -16.214 tors. eta vs tors. theta energy: -26.112 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: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -390.274721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.274721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.274721 (E_RNA) where: Base-Base interactions energy: -273.796 where: short stacking energy: -122.030 Base-Backbone interact. energy: -1.241 local terms energy: -115.238152 where: bonds (distance) C4'-P energy: -23.093 bonds (distance) P-C4' energy: -18.975 flat angles C4'-P-C4' energy: -23.778 flat angles P-C4'-P energy: -17.060 tors. eta vs tors. theta energy: -32.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -359.759989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.759989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.759989 (E_RNA) where: Base-Base interactions energy: -249.611 where: short stacking energy: -119.983 Base-Backbone interact. energy: -0.054 local terms energy: -110.094806 where: bonds (distance) C4'-P energy: -11.775 bonds (distance) P-C4' energy: -21.523 flat angles C4'-P-C4' energy: -25.744 flat angles P-C4'-P energy: -15.202 tors. eta vs tors. theta energy: -35.851 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: 112 Temperature: 1.100000 Total energy: -335.310209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.310209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.310209 (E_RNA) where: Base-Base interactions energy: -222.578 where: short stacking energy: -111.668 Base-Backbone interact. energy: -0.131 local terms energy: -112.601898 where: bonds (distance) C4'-P energy: -23.418 bonds (distance) P-C4' energy: -17.448 flat angles C4'-P-C4' energy: -26.479 flat angles P-C4'-P energy: -15.534 tors. eta vs tors. theta energy: -29.723 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: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -300.718021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.718021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.718021 (E_RNA) where: Base-Base interactions energy: -197.029 where: short stacking energy: -85.750 Base-Backbone interact. energy: -0.090 local terms energy: -103.599172 where: bonds (distance) C4'-P energy: -24.030 bonds (distance) P-C4' energy: -24.873 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -15.849 tors. eta vs tors. theta energy: -24.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -247.766113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.766113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.766113 (E_RNA) where: Base-Base interactions energy: -159.033 where: short stacking energy: -59.820 Base-Backbone interact. energy: 0.754 local terms energy: -89.487114 where: bonds (distance) C4'-P energy: -20.836 bonds (distance) P-C4' energy: -22.542 flat angles C4'-P-C4' energy: -22.690 flat angles P-C4'-P energy: -17.502 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -214.345509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.345509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.345509 (E_RNA) where: Base-Base interactions energy: -134.895 where: short stacking energy: -66.394 Base-Backbone interact. energy: -0.424 local terms energy: -79.027280 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -24.555 flat angles C4'-P-C4' energy: -20.933 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -8.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -203.166065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.166065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.166065 (E_RNA) where: Base-Base interactions energy: -122.613 where: short stacking energy: -67.626 Base-Backbone interact. energy: -0.169 local terms energy: -80.383922 where: bonds (distance) C4'-P energy: -19.405 bonds (distance) P-C4' energy: -19.915 flat angles C4'-P-C4' energy: -21.437 flat angles P-C4'-P energy: -12.942 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: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -193.522112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.522112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.522112 (E_RNA) where: Base-Base interactions energy: -110.890 where: short stacking energy: -66.424 Base-Backbone interact. energy: -0.377 local terms energy: -82.255235 where: bonds (distance) C4'-P energy: -21.613 bonds (distance) P-C4' energy: -21.182 flat angles C4'-P-C4' energy: -17.530 flat angles P-C4'-P energy: -12.566 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: 1, replica: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -391.874688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.874688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.874688 (E_RNA) where: Base-Base interactions energy: -269.397 where: short stacking energy: -113.516 Base-Backbone interact. energy: -1.149 local terms energy: -121.329376 where: bonds (distance) C4'-P energy: -26.265 bonds (distance) P-C4' energy: -25.272 flat angles C4'-P-C4' energy: -25.043 flat angles P-C4'-P energy: -13.535 tors. eta vs tors. theta energy: -31.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -394.874405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.874405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.874405 (E_RNA) where: Base-Base interactions energy: -260.832 where: short stacking energy: -114.003 Base-Backbone interact. energy: -2.451 local terms energy: -131.591113 where: bonds (distance) C4'-P energy: -25.789 bonds (distance) P-C4' energy: -26.766 flat angles C4'-P-C4' energy: -25.540 flat angles P-C4'-P energy: -15.874 tors. eta vs tors. theta energy: -37.623 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: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -363.276946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.276946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.276946 (E_RNA) where: Base-Base interactions energy: -241.321 where: short stacking energy: -112.782 Base-Backbone interact. energy: -0.483 local terms energy: -121.473432 where: bonds (distance) C4'-P energy: -25.665 bonds (distance) P-C4' energy: -23.187 flat angles C4'-P-C4' energy: -25.568 flat angles P-C4'-P energy: -20.043 tors. eta vs tors. theta energy: -27.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -374.660235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.660235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.660235 (E_RNA) where: Base-Base interactions energy: -253.213 where: short stacking energy: -126.715 Base-Backbone interact. energy: -0.085 local terms energy: -121.362159 where: bonds (distance) C4'-P energy: -19.283 bonds (distance) P-C4' energy: -24.598 flat angles C4'-P-C4' energy: -19.961 flat angles P-C4'-P energy: -20.919 tors. eta vs tors. theta energy: -36.602 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: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -353.521766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.521766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.521766 (E_RNA) where: Base-Base interactions energy: -238.041 where: short stacking energy: -102.750 Base-Backbone interact. energy: -0.521 local terms energy: -114.959147 where: bonds (distance) C4'-P energy: -23.667 bonds (distance) P-C4' energy: -23.960 flat angles C4'-P-C4' energy: -22.160 flat angles P-C4'-P energy: -16.979 tors. eta vs tors. theta energy: -28.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -304.151501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.151501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.151501 (E_RNA) where: Base-Base interactions energy: -196.151 where: short stacking energy: -89.516 Base-Backbone interact. energy: -0.218 local terms energy: -107.782744 where: bonds (distance) C4'-P energy: -24.704 bonds (distance) P-C4' energy: -23.719 flat angles C4'-P-C4' energy: -23.330 flat angles P-C4'-P energy: -14.678 tors. eta vs tors. theta energy: -21.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -252.258915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.258915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.258915 (E_RNA) where: Base-Base interactions energy: -161.381 where: short stacking energy: -66.536 Base-Backbone interact. energy: -0.160 local terms energy: -90.717632 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -23.691 flat angles C4'-P-C4' energy: -19.956 flat angles P-C4'-P energy: -14.209 tors. eta vs tors. theta energy: -17.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -220.023910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.023910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.023910 (E_RNA) where: Base-Base interactions energy: -124.387 where: short stacking energy: -49.036 Base-Backbone interact. energy: -0.386 local terms energy: -95.250116 where: bonds (distance) C4'-P energy: -23.721 bonds (distance) P-C4' energy: -28.630 flat angles C4'-P-C4' energy: -24.177 flat angles P-C4'-P energy: -14.583 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -184.293838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.293838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.293838 (E_RNA) where: Base-Base interactions energy: -104.808 where: short stacking energy: -51.945 Base-Backbone interact. energy: -0.543 local terms energy: -78.942533 where: bonds (distance) C4'-P energy: -21.838 bonds (distance) P-C4' energy: -21.696 flat angles C4'-P-C4' energy: -19.417 flat angles P-C4'-P energy: -12.820 tors. eta vs tors. theta energy: -3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -164.748333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.748333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.748333 (E_RNA) where: Base-Base interactions energy: -98.570 where: short stacking energy: -44.514 Base-Backbone interact. energy: 0.503 local terms energy: -66.681563 where: bonds (distance) C4'-P energy: -16.258 bonds (distance) P-C4' energy: -22.093 flat angles C4'-P-C4' energy: -16.497 flat angles P-C4'-P energy: -10.195 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: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -386.521497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.521497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.521497 (E_RNA) where: Base-Base interactions energy: -255.028 where: short stacking energy: -108.453 Base-Backbone interact. energy: -0.348 local terms energy: -131.145692 where: bonds (distance) C4'-P energy: -26.218 bonds (distance) P-C4' energy: -28.164 flat angles C4'-P-C4' energy: -29.025 flat angles P-C4'-P energy: -13.872 tors. eta vs tors. theta energy: -33.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -380.822010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.822010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.822010 (E_RNA) where: Base-Base interactions energy: -255.190 where: short stacking energy: -109.558 Base-Backbone interact. energy: -0.218 local terms energy: -125.414780 where: bonds (distance) C4'-P energy: -27.998 bonds (distance) P-C4' energy: -26.212 flat angles C4'-P-C4' energy: -24.902 flat angles P-C4'-P energy: -13.114 tors. eta vs tors. theta energy: -33.189 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: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -360.206471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.206471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.206471 (E_RNA) where: Base-Base interactions energy: -238.378 where: short stacking energy: -118.835 Base-Backbone interact. energy: 0.478 local terms energy: -122.306540 where: bonds (distance) C4'-P energy: -20.208 bonds (distance) P-C4' energy: -19.888 flat angles C4'-P-C4' energy: -27.622 flat angles P-C4'-P energy: -15.309 tors. eta vs tors. theta energy: -39.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -338.642427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.642427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.642427 (E_RNA) where: Base-Base interactions energy: -230.505 where: short stacking energy: -99.067 Base-Backbone interact. energy: -1.940 local terms energy: -106.197298 where: bonds (distance) C4'-P energy: -23.263 bonds (distance) P-C4' energy: -21.062 flat angles C4'-P-C4' energy: -22.387 flat angles P-C4'-P energy: -13.579 tors. eta vs tors. theta energy: -25.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -357.686581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.686581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.686581 (E_RNA) where: Base-Base interactions energy: -243.638 where: short stacking energy: -101.858 Base-Backbone interact. energy: -0.003 local terms energy: -114.046219 where: bonds (distance) C4'-P energy: -24.351 bonds (distance) P-C4' energy: -21.680 flat angles C4'-P-C4' energy: -21.930 flat angles P-C4'-P energy: -16.777 tors. eta vs tors. theta energy: -29.308 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: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -318.393236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.393236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.393236 (E_RNA) where: Base-Base interactions energy: -211.936 where: short stacking energy: -102.188 Base-Backbone interact. energy: -0.321 local terms energy: -106.135640 where: bonds (distance) C4'-P energy: -20.034 bonds (distance) P-C4' energy: -24.006 flat angles C4'-P-C4' energy: -20.803 flat angles P-C4'-P energy: -15.576 tors. eta vs tors. theta energy: -25.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -252.486778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.486778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.486778 (E_RNA) where: Base-Base interactions energy: -155.507 where: short stacking energy: -74.625 Base-Backbone interact. energy: -0.306 local terms energy: -96.674029 where: bonds (distance) C4'-P energy: -24.762 bonds (distance) P-C4' energy: -26.852 flat angles C4'-P-C4' energy: -21.830 flat angles P-C4'-P energy: -11.951 tors. eta vs tors. theta energy: -11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -223.470419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.470419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.470419 (E_RNA) where: Base-Base interactions energy: -131.974 where: short stacking energy: -66.055 Base-Backbone interact. energy: -1.419 local terms energy: -90.077288 where: bonds (distance) C4'-P energy: -23.288 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -23.768 flat angles P-C4'-P energy: -13.778 tors. eta vs tors. theta energy: -13.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -202.443541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.443541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.443541 (E_RNA) where: Base-Base interactions energy: -118.060 where: short stacking energy: -72.821 Base-Backbone interact. energy: 0.347 local terms energy: -84.731127 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -17.941 flat angles C4'-P-C4' energy: -21.593 flat angles P-C4'-P energy: -13.208 tors. eta vs tors. theta energy: -15.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -179.726755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.726755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.726755 (E_RNA) where: Base-Base interactions energy: -91.907 where: short stacking energy: -53.582 Base-Backbone interact. energy: -0.098 local terms energy: -87.721089 where: bonds (distance) C4'-P energy: -19.753 bonds (distance) P-C4' energy: -22.395 flat angles C4'-P-C4' energy: -22.827 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -11.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -397.116245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.116245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.116245 (E_RNA) where: Base-Base interactions energy: -269.437 where: short stacking energy: -117.924 Base-Backbone interact. energy: 0.123 local terms energy: -127.801972 where: bonds (distance) C4'-P energy: -25.138 bonds (distance) P-C4' energy: -24.766 flat angles C4'-P-C4' energy: -23.877 flat angles P-C4'-P energy: -19.475 tors. eta vs tors. theta energy: -34.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -375.478238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.478238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.478238 (E_RNA) where: Base-Base interactions energy: -248.130 where: short stacking energy: -109.467 Base-Backbone interact. energy: -1.539 local terms energy: -125.809779 where: bonds (distance) C4'-P energy: -23.209 bonds (distance) P-C4' energy: -27.146 flat angles C4'-P-C4' energy: -23.867 flat angles P-C4'-P energy: -20.407 tors. eta vs tors. theta energy: -31.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -365.714709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.714709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.714709 (E_RNA) where: Base-Base interactions energy: -238.600 where: short stacking energy: -117.292 Base-Backbone interact. energy: -1.809 local terms energy: -125.305912 where: bonds (distance) C4'-P energy: -25.471 bonds (distance) P-C4' energy: -21.086 flat angles C4'-P-C4' energy: -27.523 flat angles P-C4'-P energy: -16.164 tors. eta vs tors. theta energy: -35.061 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: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -368.393500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.393500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.393500 (E_RNA) where: Base-Base interactions energy: -244.812 where: short stacking energy: -110.379 Base-Backbone interact. energy: -0.776 local terms energy: -122.806092 where: bonds (distance) C4'-P energy: -23.371 bonds (distance) P-C4' energy: -26.609 flat angles C4'-P-C4' energy: -22.607 flat angles P-C4'-P energy: -18.384 tors. eta vs tors. theta energy: -31.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -349.301991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.301991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.301991 (E_RNA) where: Base-Base interactions energy: -238.320 where: short stacking energy: -108.927 Base-Backbone interact. energy: -0.436 local terms energy: -110.546197 where: bonds (distance) C4'-P energy: -21.020 bonds (distance) P-C4' energy: -25.428 flat angles C4'-P-C4' energy: -24.924 flat angles P-C4'-P energy: -15.394 tors. eta vs tors. theta energy: -23.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -320.186344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.186344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.186344 (E_RNA) where: Base-Base interactions energy: -203.536 where: short stacking energy: -100.469 Base-Backbone interact. energy: -0.260 local terms energy: -116.390489 where: bonds (distance) C4'-P energy: -22.257 bonds (distance) P-C4' energy: -19.579 flat angles C4'-P-C4' energy: -25.254 flat angles P-C4'-P energy: -18.663 tors. eta vs tors. theta energy: -30.636 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: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -245.430486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.430486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.430486 (E_RNA) where: Base-Base interactions energy: -153.895 where: short stacking energy: -65.761 Base-Backbone interact. energy: -0.940 local terms energy: -90.595470 where: bonds (distance) C4'-P energy: -22.409 bonds (distance) P-C4' energy: -17.858 flat angles C4'-P-C4' energy: -20.482 flat angles P-C4'-P energy: -17.806 tors. eta vs tors. theta energy: -12.041 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: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -200.899051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.899051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.899051 (E_RNA) where: Base-Base interactions energy: -115.743 where: short stacking energy: -64.045 Base-Backbone interact. energy: -0.027 local terms energy: -85.129493 where: bonds (distance) C4'-P energy: -21.401 bonds (distance) P-C4' energy: -18.300 flat angles C4'-P-C4' energy: -17.583 flat angles P-C4'-P energy: -11.700 tors. eta vs tors. theta energy: -16.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -174.716730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.716730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.716730 (E_RNA) where: Base-Base interactions energy: -102.212 where: short stacking energy: -57.544 Base-Backbone interact. energy: -0.750 local terms energy: -71.754784 where: bonds (distance) C4'-P energy: -26.582 bonds (distance) P-C4' energy: -19.897 flat angles C4'-P-C4' energy: -10.303 flat angles P-C4'-P energy: -12.391 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -172.406120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.406120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.406120 (E_RNA) where: Base-Base interactions energy: -92.033 where: short stacking energy: -48.036 Base-Backbone interact. energy: -0.264 local terms energy: -80.109232 where: bonds (distance) C4'-P energy: -20.136 bonds (distance) P-C4' energy: -27.729 flat angles C4'-P-C4' energy: -16.571 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -403.448040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.448040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.448040 (E_RNA) where: Base-Base interactions energy: -274.713 where: short stacking energy: -124.093 Base-Backbone interact. energy: -1.875 local terms energy: -126.860486 where: bonds (distance) C4'-P energy: -22.643 bonds (distance) P-C4' energy: -25.161 flat angles C4'-P-C4' energy: -25.658 flat angles P-C4'-P energy: -18.393 tors. eta vs tors. theta energy: -35.005 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: 2, replica: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -385.039443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.039443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.039443 (E_RNA) where: Base-Base interactions energy: -277.237 where: short stacking energy: -127.760 Base-Backbone interact. energy: 1.393 local terms energy: -109.195163 where: bonds (distance) C4'-P energy: -19.144 bonds (distance) P-C4' energy: -20.407 flat angles C4'-P-C4' energy: -26.304 flat angles P-C4'-P energy: -13.941 tors. eta vs tors. theta energy: -29.399 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: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -374.239171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.239171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.239171 (E_RNA) where: Base-Base interactions energy: -259.965 where: short stacking energy: -108.335 Base-Backbone interact. energy: -0.417 local terms energy: -113.857114 where: bonds (distance) C4'-P energy: -17.895 bonds (distance) P-C4' energy: -27.452 flat angles C4'-P-C4' energy: -24.299 flat angles P-C4'-P energy: -13.715 tors. eta vs tors. theta energy: -30.497 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: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -369.598867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.598867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.598867 (E_RNA) where: Base-Base interactions energy: -239.082 where: short stacking energy: -114.902 Base-Backbone interact. energy: -0.604 local terms energy: -129.913070 where: bonds (distance) C4'-P energy: -24.629 bonds (distance) P-C4' energy: -24.557 flat angles C4'-P-C4' energy: -28.232 flat angles P-C4'-P energy: -16.366 tors. eta vs tors. theta energy: -36.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -318.264965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.264965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.264965 (E_RNA) where: Base-Base interactions energy: -208.325 where: short stacking energy: -100.020 Base-Backbone interact. energy: -0.248 local terms energy: -109.692012 where: bonds (distance) C4'-P energy: -22.115 bonds (distance) P-C4' energy: -22.426 flat angles C4'-P-C4' energy: -20.283 flat angles P-C4'-P energy: -12.740 tors. eta vs tors. theta energy: -32.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -343.451258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.451258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.451258 (E_RNA) where: Base-Base interactions energy: -241.627 where: short stacking energy: -94.844 Base-Backbone interact. energy: -1.342 local terms energy: -100.481561 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -17.868 flat angles C4'-P-C4' energy: -25.251 flat angles P-C4'-P energy: -17.145 tors. eta vs tors. theta energy: -24.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -264.281498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.281498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.281498 (E_RNA) where: Base-Base interactions energy: -182.755 where: short stacking energy: -75.812 Base-Backbone interact. energy: -0.241 local terms energy: -81.285398 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -15.879 flat angles C4'-P-C4' energy: -23.472 flat angles P-C4'-P energy: -10.739 tors. eta vs tors. theta energy: -15.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -227.653914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.653914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.653914 (E_RNA) where: Base-Base interactions energy: -142.141 where: short stacking energy: -75.010 Base-Backbone interact. energy: -0.231 local terms energy: -85.281520 where: bonds (distance) C4'-P energy: -22.012 bonds (distance) P-C4' energy: -25.127 flat angles C4'-P-C4' energy: -18.529 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -162.202740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.202740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.202740 (E_RNA) where: Base-Base interactions energy: -88.660 where: short stacking energy: -41.538 Base-Backbone interact. energy: -0.147 local terms energy: -73.395685 where: bonds (distance) C4'-P energy: -23.018 bonds (distance) P-C4' energy: -20.507 flat angles C4'-P-C4' energy: -20.696 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: 1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -172.969275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.969275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.969275 (E_RNA) where: Base-Base interactions energy: -101.100 where: short stacking energy: -51.653 Base-Backbone interact. energy: -0.510 local terms energy: -71.359162 where: bonds (distance) C4'-P energy: -20.514 bonds (distance) P-C4' energy: -19.593 flat angles C4'-P-C4' energy: -20.246 flat angles P-C4'-P energy: -10.956 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: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -400.916962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.916962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.916962 (E_RNA) where: Base-Base interactions energy: -277.329 where: short stacking energy: -118.876 Base-Backbone interact. energy: -1.680 local terms energy: -121.908070 where: bonds (distance) C4'-P energy: -20.079 bonds (distance) P-C4' energy: -21.938 flat angles C4'-P-C4' energy: -29.962 flat angles P-C4'-P energy: -18.376 tors. eta vs tors. theta energy: -31.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -381.871715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.871715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.871715 (E_RNA) where: Base-Base interactions energy: -260.491 where: short stacking energy: -110.451 Base-Backbone interact. energy: -0.441 local terms energy: -120.939918 where: bonds (distance) C4'-P energy: -23.955 bonds (distance) P-C4' energy: -21.255 flat angles C4'-P-C4' energy: -25.537 flat angles P-C4'-P energy: -19.117 tors. eta vs tors. theta energy: -31.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -366.592418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.592418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.592418 (E_RNA) where: Base-Base interactions energy: -240.546 where: short stacking energy: -106.477 Base-Backbone interact. energy: -0.866 local terms energy: -125.180201 where: bonds (distance) C4'-P energy: -24.171 bonds (distance) P-C4' energy: -22.732 flat angles C4'-P-C4' energy: -27.156 flat angles P-C4'-P energy: -22.629 tors. eta vs tors. theta energy: -28.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -327.079680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.079680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.079680 (E_RNA) where: Base-Base interactions energy: -217.310 where: short stacking energy: -101.261 Base-Backbone interact. energy: -0.040 local terms energy: -109.728888 where: bonds (distance) C4'-P energy: -17.623 bonds (distance) P-C4' energy: -22.478 flat angles C4'-P-C4' energy: -23.781 flat angles P-C4'-P energy: -17.658 tors. eta vs tors. theta energy: -28.189 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: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -353.157550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.157550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.157550 (E_RNA) where: Base-Base interactions energy: -222.917 where: short stacking energy: -116.899 Base-Backbone interact. energy: -0.833 local terms energy: -129.408006 where: bonds (distance) C4'-P energy: -22.293 bonds (distance) P-C4' energy: -22.998 flat angles C4'-P-C4' energy: -26.111 flat angles P-C4'-P energy: -21.912 tors. eta vs tors. theta energy: -36.094 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: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -349.703254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.703254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.703254 (E_RNA) where: Base-Base interactions energy: -252.137 where: short stacking energy: -108.446 Base-Backbone interact. energy: -1.488 local terms energy: -96.078656 where: bonds (distance) C4'-P energy: -19.979 bonds (distance) P-C4' energy: -21.559 flat angles C4'-P-C4' energy: -17.551 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -26.435 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: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -255.202040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.202040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.202040 (E_RNA) where: Base-Base interactions energy: -158.958 where: short stacking energy: -73.017 Base-Backbone interact. energy: -0.476 local terms energy: -95.767858 where: bonds (distance) C4'-P energy: -17.760 bonds (distance) P-C4' energy: -24.607 flat angles C4'-P-C4' energy: -26.230 flat angles P-C4'-P energy: -13.611 tors. eta vs tors. theta energy: -13.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -133.879326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.879326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.879326 (E_RNA) where: Base-Base interactions energy: -55.036 where: short stacking energy: -51.881 Base-Backbone interact. energy: -0.455 local terms energy: -78.388414 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -21.949 flat angles C4'-P-C4' energy: -23.081 flat angles P-C4'-P energy: -11.173 tors. eta vs tors. theta energy: -6.557 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: 117 Temperature: 1.300000 Total energy: -203.609427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.609427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.609427 (E_RNA) where: Base-Base interactions energy: -124.534 where: short stacking energy: -64.479 Base-Backbone interact. energy: -0.307 local terms energy: -78.769235 where: bonds (distance) C4'-P energy: -20.884 bonds (distance) P-C4' energy: -20.767 flat angles C4'-P-C4' energy: -17.347 flat angles P-C4'-P energy: -11.693 tors. eta vs tors. theta energy: -8.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -187.942856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.942856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.942856 (E_RNA) where: Base-Base interactions energy: -111.248 where: short stacking energy: -59.640 Base-Backbone interact. energy: 0.953 local terms energy: -77.648491 where: bonds (distance) C4'-P energy: -16.821 bonds (distance) P-C4' energy: -22.468 flat angles C4'-P-C4' energy: -20.172 flat angles P-C4'-P energy: -13.561 tors. eta vs tors. theta energy: -4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -381.852128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.852128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.852128 (E_RNA) where: Base-Base interactions energy: -257.674 where: short stacking energy: -116.162 Base-Backbone interact. energy: 0.790 local terms energy: -124.968268 where: bonds (distance) C4'-P energy: -24.563 bonds (distance) P-C4' energy: -26.106 flat angles C4'-P-C4' energy: -24.746 flat angles P-C4'-P energy: -18.067 tors. eta vs tors. theta energy: -31.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -392.654141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.654141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.654141 (E_RNA) where: Base-Base interactions energy: -265.449 where: short stacking energy: -112.345 Base-Backbone interact. energy: -0.311 local terms energy: -126.893371 where: bonds (distance) C4'-P energy: -20.516 bonds (distance) P-C4' energy: -25.965 flat angles C4'-P-C4' energy: -28.118 flat angles P-C4'-P energy: -15.491 tors. eta vs tors. theta energy: -36.804 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: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -370.656529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.656529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.656529 (E_RNA) where: Base-Base interactions energy: -254.133 where: short stacking energy: -118.880 Base-Backbone interact. energy: -0.066 local terms energy: -116.457169 where: bonds (distance) C4'-P energy: -23.326 bonds (distance) P-C4' energy: -20.702 flat angles C4'-P-C4' energy: -27.041 flat angles P-C4'-P energy: -16.100 tors. eta vs tors. theta energy: -29.288 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: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -337.113984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.113984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.113984 (E_RNA) where: Base-Base interactions energy: -226.737 where: short stacking energy: -104.641 Base-Backbone interact. energy: -0.071 local terms energy: -110.306086 where: bonds (distance) C4'-P energy: -19.014 bonds (distance) P-C4' energy: -23.726 flat angles C4'-P-C4' energy: -22.933 flat angles P-C4'-P energy: -16.459 tors. eta vs tors. theta energy: -28.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -339.943403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.943403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.943403 (E_RNA) where: Base-Base interactions energy: -233.564 where: short stacking energy: -100.684 Base-Backbone interact. energy: -0.644 local terms energy: -105.735154 where: bonds (distance) C4'-P energy: -19.104 bonds (distance) P-C4' energy: -18.536 flat angles C4'-P-C4' energy: -25.251 flat angles P-C4'-P energy: -17.292 tors. eta vs tors. theta energy: -25.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -333.993994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.993994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.993994 (E_RNA) where: Base-Base interactions energy: -212.741 where: short stacking energy: -106.171 Base-Backbone interact. energy: -0.695 local terms energy: -120.557644 where: bonds (distance) C4'-P energy: -21.648 bonds (distance) P-C4' energy: -24.125 flat angles C4'-P-C4' energy: -23.288 flat angles P-C4'-P energy: -21.289 tors. eta vs tors. theta energy: -30.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -265.044430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.044430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.044430 (E_RNA) where: Base-Base interactions energy: -156.406 where: short stacking energy: -79.167 Base-Backbone interact. energy: 2.779 local terms energy: -111.417373 where: bonds (distance) C4'-P energy: -23.976 bonds (distance) P-C4' energy: -25.752 flat angles C4'-P-C4' energy: -23.217 flat angles P-C4'-P energy: -20.968 tors. eta vs tors. theta energy: -17.505 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: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -132.108682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.108682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.108682 (E_RNA) where: Base-Base interactions energy: -48.193 where: short stacking energy: -46.904 Base-Backbone interact. energy: -0.365 local terms energy: -83.551201 where: bonds (distance) C4'-P energy: -22.851 bonds (distance) P-C4' energy: -25.606 flat angles C4'-P-C4' energy: -22.193 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -169.086376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.086376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.086376 (E_RNA) where: Base-Base interactions energy: -84.784 where: short stacking energy: -45.025 Base-Backbone interact. energy: -0.609 local terms energy: -83.693018 where: bonds (distance) C4'-P energy: -18.265 bonds (distance) P-C4' energy: -22.740 flat angles C4'-P-C4' energy: -20.416 flat angles P-C4'-P energy: -14.462 tors. eta vs tors. theta energy: -7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -184.761217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.761217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.761217 (E_RNA) where: Base-Base interactions energy: -113.742 where: short stacking energy: -52.277 Base-Backbone interact. energy: 0.371 local terms energy: -71.390161 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -21.388 flat angles C4'-P-C4' energy: -21.145 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -392.955886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.955886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.955886 (E_RNA) where: Base-Base interactions energy: -274.840 where: short stacking energy: -116.908 Base-Backbone interact. energy: -1.231 local terms energy: -116.884581 where: bonds (distance) C4'-P energy: -23.628 bonds (distance) P-C4' energy: -21.816 flat angles C4'-P-C4' energy: -25.962 flat angles P-C4'-P energy: -15.131 tors. eta vs tors. theta energy: -30.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -399.146223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.146223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.146223 (E_RNA) where: Base-Base interactions energy: -266.418 where: short stacking energy: -121.397 Base-Backbone interact. energy: -0.393 local terms energy: -132.335238 where: bonds (distance) C4'-P energy: -21.200 bonds (distance) P-C4' energy: -25.440 flat angles C4'-P-C4' energy: -29.129 flat angles P-C4'-P energy: -22.450 tors. eta vs tors. theta energy: -34.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -364.945409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.945409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.945409 (E_RNA) where: Base-Base interactions energy: -236.338 where: short stacking energy: -101.132 Base-Backbone interact. energy: -0.329 local terms energy: -128.279271 where: bonds (distance) C4'-P energy: -23.863 bonds (distance) P-C4' energy: -25.220 flat angles C4'-P-C4' energy: -27.437 flat angles P-C4'-P energy: -21.451 tors. eta vs tors. theta energy: -30.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -346.198147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.198147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.198147 (E_RNA) where: Base-Base interactions energy: -233.721 where: short stacking energy: -99.459 Base-Backbone interact. energy: -0.700 local terms energy: -111.777142 where: bonds (distance) C4'-P energy: -22.796 bonds (distance) P-C4' energy: -23.193 flat angles C4'-P-C4' energy: -27.721 flat angles P-C4'-P energy: -11.805 tors. eta vs tors. theta energy: -26.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -316.494856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.494856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.494856 (E_RNA) where: Base-Base interactions energy: -207.196 where: short stacking energy: -103.096 Base-Backbone interact. energy: -0.250 local terms energy: -109.048826 where: bonds (distance) C4'-P energy: -19.771 bonds (distance) P-C4' energy: -21.357 flat angles C4'-P-C4' energy: -23.680 flat angles P-C4'-P energy: -17.584 tors. eta vs tors. theta energy: -26.657 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: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -327.979077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.979077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.979077 (E_RNA) where: Base-Base interactions energy: -212.200 where: short stacking energy: -95.938 Base-Backbone interact. energy: -0.585 local terms energy: -115.194234 where: bonds (distance) C4'-P energy: -20.343 bonds (distance) P-C4' energy: -25.825 flat angles C4'-P-C4' energy: -23.429 flat angles P-C4'-P energy: -18.237 tors. eta vs tors. theta energy: -27.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -236.527965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.527965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.527965 (E_RNA) where: Base-Base interactions energy: -150.858 where: short stacking energy: -75.624 Base-Backbone interact. energy: -1.183 local terms energy: -84.486308 where: bonds (distance) C4'-P energy: -17.281 bonds (distance) P-C4' energy: -21.152 flat angles C4'-P-C4' energy: -24.389 flat angles P-C4'-P energy: -14.379 tors. eta vs tors. theta energy: -7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -128.247361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.247361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.247361 (E_RNA) where: Base-Base interactions energy: -45.714 where: short stacking energy: -40.359 Base-Backbone interact. energy: 1.226 local terms energy: -83.759486 where: bonds (distance) C4'-P energy: -21.121 bonds (distance) P-C4' energy: -21.694 flat angles C4'-P-C4' energy: -20.016 flat angles P-C4'-P energy: -11.891 tors. eta vs tors. theta energy: -9.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -180.291843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.291843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.291843 (E_RNA) where: Base-Base interactions energy: -103.088 where: short stacking energy: -46.677 Base-Backbone interact. energy: -0.278 local terms energy: -76.925681 where: bonds (distance) C4'-P energy: -16.341 bonds (distance) P-C4' energy: -25.916 flat angles C4'-P-C4' energy: -17.329 flat angles P-C4'-P energy: -13.613 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: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -174.698517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.698517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.698517 (E_RNA) where: Base-Base interactions energy: -97.612 where: short stacking energy: -47.909 Base-Backbone interact. energy: -0.988 local terms energy: -76.098637 where: bonds (distance) C4'-P energy: -15.862 bonds (distance) P-C4' energy: -20.114 flat angles C4'-P-C4' energy: -24.377 flat angles P-C4'-P energy: -12.062 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -410.577533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.577533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.577533 (E_RNA) where: Base-Base interactions energy: -282.486 where: short stacking energy: -125.625 Base-Backbone interact. energy: -0.067 local terms energy: -128.024061 where: bonds (distance) C4'-P energy: -25.531 bonds (distance) P-C4' energy: -24.285 flat angles C4'-P-C4' energy: -24.191 flat angles P-C4'-P energy: -18.042 tors. eta vs tors. theta energy: -35.975 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: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -377.470443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.470443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.470443 (E_RNA) where: Base-Base interactions energy: -255.897 where: short stacking energy: -112.233 Base-Backbone interact. energy: -0.946 local terms energy: -120.627398 where: bonds (distance) C4'-P energy: -24.124 bonds (distance) P-C4' energy: -21.103 flat angles C4'-P-C4' energy: -25.577 flat angles P-C4'-P energy: -17.738 tors. eta vs tors. theta energy: -32.086 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: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -341.751481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.751481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.751481 (E_RNA) where: Base-Base interactions energy: -228.612 where: short stacking energy: -100.100 Base-Backbone interact. energy: -0.248 local terms energy: -112.891480 where: bonds (distance) C4'-P energy: -23.756 bonds (distance) P-C4' energy: -23.555 flat angles C4'-P-C4' energy: -26.077 flat angles P-C4'-P energy: -16.040 tors. eta vs tors. theta energy: -23.464 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: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -347.936718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.936718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.936718 (E_RNA) where: Base-Base interactions energy: -233.245 where: short stacking energy: -105.096 Base-Backbone interact. energy: -0.549 local terms energy: -114.142959 where: bonds (distance) C4'-P energy: -22.662 bonds (distance) P-C4' energy: -22.130 flat angles C4'-P-C4' energy: -22.838 flat angles P-C4'-P energy: -13.400 tors. eta vs tors. theta energy: -33.114 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: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -355.453702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.453702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.453702 (E_RNA) where: Base-Base interactions energy: -234.240 where: short stacking energy: -114.465 Base-Backbone interact. energy: -0.342 local terms energy: -120.871880 where: bonds (distance) C4'-P energy: -18.551 bonds (distance) P-C4' energy: -21.607 flat angles C4'-P-C4' energy: -25.451 flat angles P-C4'-P energy: -17.245 tors. eta vs tors. theta energy: -38.018 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: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -328.442827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.442827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.442827 (E_RNA) where: Base-Base interactions energy: -225.398 where: short stacking energy: -95.064 Base-Backbone interact. energy: -0.985 local terms energy: -102.059302 where: bonds (distance) C4'-P energy: -18.859 bonds (distance) P-C4' energy: -15.536 flat angles C4'-P-C4' energy: -21.596 flat angles P-C4'-P energy: -15.750 tors. eta vs tors. theta energy: -30.318 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: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -239.987516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.987516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.987516 (E_RNA) where: Base-Base interactions energy: -153.097 where: short stacking energy: -64.171 Base-Backbone interact. energy: 0.047 local terms energy: -86.937770 where: bonds (distance) C4'-P energy: -23.458 bonds (distance) P-C4' energy: -24.173 flat angles C4'-P-C4' energy: -18.671 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -14.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -131.497740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.497740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.497740 (E_RNA) where: Base-Base interactions energy: -52.133 where: short stacking energy: -37.067 Base-Backbone interact. energy: -0.604 local terms energy: -78.760458 where: bonds (distance) C4'-P energy: -23.452 bonds (distance) P-C4' energy: -17.602 flat angles C4'-P-C4' energy: -23.080 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -165.102022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.102022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.102022 (E_RNA) where: Base-Base interactions energy: -98.131 where: short stacking energy: -43.350 Base-Backbone interact. energy: 0.569 local terms energy: -67.539779 where: bonds (distance) C4'-P energy: -17.799 bonds (distance) P-C4' energy: -21.912 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -13.861 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: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -177.425045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.425045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.425045 (E_RNA) where: Base-Base interactions energy: -102.624 where: short stacking energy: -40.017 Base-Backbone interact. energy: -0.604 local terms energy: -74.197697 where: bonds (distance) C4'-P energy: -18.721 bonds (distance) P-C4' energy: -23.140 flat angles C4'-P-C4' energy: -21.080 flat angles P-C4'-P energy: -12.825 tors. eta vs tors. theta energy: 1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -406.801285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.801285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.801285 (E_RNA) where: Base-Base interactions energy: -277.396 where: short stacking energy: -121.520 Base-Backbone interact. energy: -0.594 local terms energy: -128.811968 where: bonds (distance) C4'-P energy: -26.078 bonds (distance) P-C4' energy: -28.090 flat angles C4'-P-C4' energy: -28.093 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -37.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -359.164261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.164261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.164261 (E_RNA) where: Base-Base interactions energy: -238.339 where: short stacking energy: -108.600 Base-Backbone interact. energy: -0.258 local terms energy: -120.566958 where: bonds (distance) C4'-P energy: -26.314 bonds (distance) P-C4' energy: -23.373 flat angles C4'-P-C4' energy: -27.270 flat angles P-C4'-P energy: -17.269 tors. eta vs tors. theta energy: -26.341 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: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -382.193365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.193365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.193365 (E_RNA) where: Base-Base interactions energy: -265.450 where: short stacking energy: -109.961 Base-Backbone interact. energy: -1.625 local terms energy: -115.118246 where: bonds (distance) C4'-P energy: -18.796 bonds (distance) P-C4' energy: -23.214 flat angles C4'-P-C4' energy: -23.686 flat angles P-C4'-P energy: -18.741 tors. eta vs tors. theta energy: -30.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -352.091343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.091343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.091343 (E_RNA) where: Base-Base interactions energy: -244.456 where: short stacking energy: -108.424 Base-Backbone interact. energy: -0.278 local terms energy: -107.357725 where: bonds (distance) C4'-P energy: -21.866 bonds (distance) P-C4' energy: -24.214 flat angles C4'-P-C4' energy: -17.074 flat angles P-C4'-P energy: -15.945 tors. eta vs tors. theta energy: -28.258 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: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -340.577522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.577522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.577522 (E_RNA) where: Base-Base interactions energy: -229.511 where: short stacking energy: -120.000 Base-Backbone interact. energy: 0.860 local terms energy: -111.926371 where: bonds (distance) C4'-P energy: -21.595 bonds (distance) P-C4' energy: -18.365 flat angles C4'-P-C4' energy: -22.488 flat angles P-C4'-P energy: -15.437 tors. eta vs tors. theta energy: -34.041 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: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -292.126813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.126813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.126813 (E_RNA) where: Base-Base interactions energy: -184.185 where: short stacking energy: -81.491 Base-Backbone interact. energy: -0.932 local terms energy: -107.009382 where: bonds (distance) C4'-P energy: -24.499 bonds (distance) P-C4' energy: -24.416 flat angles C4'-P-C4' energy: -22.067 flat angles P-C4'-P energy: -13.392 tors. eta vs tors. theta energy: -22.636 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: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -252.257250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.257250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.257250 (E_RNA) where: Base-Base interactions energy: -173.489 where: short stacking energy: -76.918 Base-Backbone interact. energy: 0.043 local terms energy: -78.811344 where: bonds (distance) C4'-P energy: -17.045 bonds (distance) P-C4' energy: -21.173 flat angles C4'-P-C4' energy: -19.722 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -11.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -172.462683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.462683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.462683 (E_RNA) where: Base-Base interactions energy: -97.772 where: short stacking energy: -58.225 Base-Backbone interact. energy: 1.042 local terms energy: -75.733327 where: bonds (distance) C4'-P energy: -20.050 bonds (distance) P-C4' energy: -20.355 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -15.905 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: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -122.809254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.809254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.809254 (E_RNA) where: Base-Base interactions energy: -56.293 where: short stacking energy: -46.193 Base-Backbone interact. energy: 0.023 local terms energy: -66.540173 where: bonds (distance) C4'-P energy: -19.503 bonds (distance) P-C4' energy: -27.061 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -0.389 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: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -187.614195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.614195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.614195 (E_RNA) where: Base-Base interactions energy: -105.914 where: short stacking energy: -56.473 Base-Backbone interact. energy: -0.242 local terms energy: -81.458290 where: bonds (distance) C4'-P energy: -21.139 bonds (distance) P-C4' energy: -18.169 flat angles C4'-P-C4' energy: -22.509 flat angles P-C4'-P energy: -11.881 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: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -405.177983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.177983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.177983 (E_RNA) where: Base-Base interactions energy: -270.874 where: short stacking energy: -129.238 Base-Backbone interact. energy: -0.602 local terms energy: -133.702683 where: bonds (distance) C4'-P energy: -25.781 bonds (distance) P-C4' energy: -27.650 flat angles C4'-P-C4' energy: -26.731 flat angles P-C4'-P energy: -17.788 tors. eta vs tors. theta energy: -35.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -374.700695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.700695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.700695 (E_RNA) where: Base-Base interactions energy: -253.550 where: short stacking energy: -105.597 Base-Backbone interact. energy: 1.125 local terms energy: -122.275549 where: bonds (distance) C4'-P energy: -23.233 bonds (distance) P-C4' energy: -23.988 flat angles C4'-P-C4' energy: -25.209 flat angles P-C4'-P energy: -19.237 tors. eta vs tors. theta energy: -30.609 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: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -359.730409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.730409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.730409 (E_RNA) where: Base-Base interactions energy: -247.278 where: short stacking energy: -105.525 Base-Backbone interact. energy: 0.334 local terms energy: -112.786408 where: bonds (distance) C4'-P energy: -25.991 bonds (distance) P-C4' energy: -23.038 flat angles C4'-P-C4' energy: -21.583 flat angles P-C4'-P energy: -12.280 tors. eta vs tors. theta energy: -29.894 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: 122 Temperature: 1.050000 Total energy: -356.419415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.419415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.419415 (E_RNA) where: Base-Base interactions energy: -230.206 where: short stacking energy: -104.525 Base-Backbone interact. energy: -0.344 local terms energy: -125.869292 where: bonds (distance) C4'-P energy: -24.662 bonds (distance) P-C4' energy: -24.814 flat angles C4'-P-C4' energy: -27.923 flat angles P-C4'-P energy: -20.766 tors. eta vs tors. theta energy: -27.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -353.056215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.056215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.056215 (E_RNA) where: Base-Base interactions energy: -231.742 where: short stacking energy: -114.097 Base-Backbone interact. energy: -0.430 local terms energy: -120.883751 where: bonds (distance) C4'-P energy: -24.646 bonds (distance) P-C4' energy: -22.620 flat angles C4'-P-C4' energy: -25.094 flat angles P-C4'-P energy: -17.090 tors. eta vs tors. theta energy: -31.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -303.398021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.398021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.398021 (E_RNA) where: Base-Base interactions energy: -200.462 where: short stacking energy: -97.694 Base-Backbone interact. energy: -0.128 local terms energy: -102.807866 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -22.573 flat angles C4'-P-C4' energy: -22.019 flat angles P-C4'-P energy: -21.001 tors. eta vs tors. theta energy: -23.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -249.141369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.141369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.141369 (E_RNA) where: Base-Base interactions energy: -152.216 where: short stacking energy: -75.045 Base-Backbone interact. energy: -0.413 local terms energy: -96.512309 where: bonds (distance) C4'-P energy: -19.672 bonds (distance) P-C4' energy: -27.393 flat angles C4'-P-C4' energy: -26.012 flat angles P-C4'-P energy: -13.585 tors. eta vs tors. theta energy: -9.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -158.335188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.335188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.335188 (E_RNA) where: Base-Base interactions energy: -84.412 where: short stacking energy: -41.810 Base-Backbone interact. energy: -0.739 local terms energy: -73.183803 where: bonds (distance) C4'-P energy: -21.546 bonds (distance) P-C4' energy: -17.375 flat angles C4'-P-C4' energy: -17.406 flat angles P-C4'-P energy: -16.931 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -202.986584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.986584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.986584 (E_RNA) where: Base-Base interactions energy: -112.581 where: short stacking energy: -59.170 Base-Backbone interact. energy: -2.443 local terms energy: -87.962977 where: bonds (distance) C4'-P energy: -20.622 bonds (distance) P-C4' energy: -18.407 flat angles C4'-P-C4' energy: -21.249 flat angles P-C4'-P energy: -14.130 tors. eta vs tors. theta energy: -13.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -120.767184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.767184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.767184 (E_RNA) where: Base-Base interactions energy: -58.135 where: short stacking energy: -41.101 Base-Backbone interact. energy: -1.116 local terms energy: -61.516637 where: bonds (distance) C4'-P energy: -19.591 bonds (distance) P-C4' energy: -20.646 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -397.539155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.539155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.539155 (E_RNA) where: Base-Base interactions energy: -268.995 where: short stacking energy: -117.756 Base-Backbone interact. energy: -0.203 local terms energy: -128.340819 where: bonds (distance) C4'-P energy: -16.888 bonds (distance) P-C4' energy: -25.794 flat angles C4'-P-C4' energy: -31.398 flat angles P-C4'-P energy: -17.110 tors. eta vs tors. theta energy: -37.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -385.835307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.835307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.835307 (E_RNA) where: Base-Base interactions energy: -259.018 where: short stacking energy: -106.083 Base-Backbone interact. energy: 0.352 local terms energy: -127.168591 where: bonds (distance) C4'-P energy: -25.998 bonds (distance) P-C4' energy: -20.921 flat angles C4'-P-C4' energy: -26.647 flat angles P-C4'-P energy: -16.989 tors. eta vs tors. theta energy: -36.614 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: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -389.733858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.733858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.733858 (E_RNA) where: Base-Base interactions energy: -264.079 where: short stacking energy: -116.425 Base-Backbone interact. energy: -0.953 local terms energy: -124.702250 where: bonds (distance) C4'-P energy: -22.804 bonds (distance) P-C4' energy: -27.590 flat angles C4'-P-C4' energy: -22.603 flat angles P-C4'-P energy: -19.746 tors. eta vs tors. theta energy: -31.959 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: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -360.356811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.356811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.356811 (E_RNA) where: Base-Base interactions energy: -236.333 where: short stacking energy: -122.753 Base-Backbone interact. energy: -0.553 local terms energy: -123.470505 where: bonds (distance) C4'-P energy: -22.146 bonds (distance) P-C4' energy: -24.613 flat angles C4'-P-C4' energy: -22.263 flat angles P-C4'-P energy: -16.640 tors. eta vs tors. theta energy: -37.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -338.503126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.503126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.503126 (E_RNA) where: Base-Base interactions energy: -228.613 where: short stacking energy: -98.446 Base-Backbone interact. energy: -0.472 local terms energy: -109.417982 where: bonds (distance) C4'-P energy: -25.533 bonds (distance) P-C4' energy: -26.078 flat angles C4'-P-C4' energy: -26.975 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -24.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -262.737274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.737274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.737274 (E_RNA) where: Base-Base interactions energy: -166.020 where: short stacking energy: -80.761 Base-Backbone interact. energy: -0.484 local terms energy: -96.233618 where: bonds (distance) C4'-P energy: -23.161 bonds (distance) P-C4' energy: -20.243 flat angles C4'-P-C4' energy: -24.587 flat angles P-C4'-P energy: -14.679 tors. eta vs tors. theta energy: -13.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -300.169294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.169294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.169294 (E_RNA) where: Base-Base interactions energy: -193.624 where: short stacking energy: -95.540 Base-Backbone interact. energy: -0.210 local terms energy: -106.335454 where: bonds (distance) C4'-P energy: -19.873 bonds (distance) P-C4' energy: -20.188 flat angles C4'-P-C4' energy: -25.136 flat angles P-C4'-P energy: -13.070 tors. eta vs tors. theta energy: -28.068 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: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -209.196062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.196062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.196062 (E_RNA) where: Base-Base interactions energy: -122.688 where: short stacking energy: -62.867 Base-Backbone interact. energy: -0.338 local terms energy: -86.170177 where: bonds (distance) C4'-P energy: -22.061 bonds (distance) P-C4' energy: -24.878 flat angles C4'-P-C4' energy: -21.973 flat angles P-C4'-P energy: -7.595 tors. eta vs tors. theta energy: -9.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -146.773641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.773641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.773641 (E_RNA) where: Base-Base interactions energy: -57.016 where: short stacking energy: -57.137 Base-Backbone interact. energy: -0.176 local terms energy: -89.582164 where: bonds (distance) C4'-P energy: -25.131 bonds (distance) P-C4' energy: -20.359 flat angles C4'-P-C4' energy: -20.435 flat angles P-C4'-P energy: -12.002 tors. eta vs tors. theta energy: -11.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -116.623810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.623810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.623810 (E_RNA) where: Base-Base interactions energy: -37.664 where: short stacking energy: -29.994 Base-Backbone interact. energy: -0.240 local terms energy: -78.719440 where: bonds (distance) C4'-P energy: -20.744 bonds (distance) P-C4' energy: -23.150 flat angles C4'-P-C4' energy: -19.700 flat angles P-C4'-P energy: -13.249 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -406.482707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.482707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.482707 (E_RNA) where: Base-Base interactions energy: -274.541 where: short stacking energy: -118.224 Base-Backbone interact. energy: -0.007 local terms energy: -131.935307 where: bonds (distance) C4'-P energy: -23.301 bonds (distance) P-C4' energy: -20.964 flat angles C4'-P-C4' energy: -27.948 flat angles P-C4'-P energy: -21.753 tors. eta vs tors. theta energy: -37.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -370.452688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.452688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.452688 (E_RNA) where: Base-Base interactions energy: -247.546 where: short stacking energy: -117.988 Base-Backbone interact. energy: -0.646 local terms energy: -122.259863 where: bonds (distance) C4'-P energy: -25.344 bonds (distance) P-C4' energy: -22.262 flat angles C4'-P-C4' energy: -25.728 flat angles P-C4'-P energy: -17.047 tors. eta vs tors. theta energy: -31.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -380.384081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.384081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.384081 (E_RNA) where: Base-Base interactions energy: -253.357 where: short stacking energy: -109.977 Base-Backbone interact. energy: -0.541 local terms energy: -126.486402 where: bonds (distance) C4'-P energy: -23.031 bonds (distance) P-C4' energy: -25.057 flat angles C4'-P-C4' energy: -24.740 flat angles P-C4'-P energy: -19.399 tors. eta vs tors. theta energy: -34.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -352.063291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.063291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.063291 (E_RNA) where: Base-Base interactions energy: -227.820 where: short stacking energy: -123.328 Base-Backbone interact. energy: -0.911 local terms energy: -123.331479 where: bonds (distance) C4'-P energy: -25.685 bonds (distance) P-C4' energy: -23.397 flat angles C4'-P-C4' energy: -23.525 flat angles P-C4'-P energy: -15.191 tors. eta vs tors. theta energy: -35.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -335.270405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.270405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.270405 (E_RNA) where: Base-Base interactions energy: -225.975 where: short stacking energy: -98.398 Base-Backbone interact. energy: -0.439 local terms energy: -108.856525 where: bonds (distance) C4'-P energy: -22.240 bonds (distance) P-C4' energy: -24.927 flat angles C4'-P-C4' energy: -23.791 flat angles P-C4'-P energy: -16.362 tors. eta vs tors. theta energy: -21.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -286.933994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.933994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.933994 (E_RNA) where: Base-Base interactions energy: -184.149 where: short stacking energy: -78.822 Base-Backbone interact. energy: -0.387 local terms energy: -102.398251 where: bonds (distance) C4'-P energy: -24.079 bonds (distance) P-C4' energy: -25.159 flat angles C4'-P-C4' energy: -23.859 flat angles P-C4'-P energy: -13.963 tors. eta vs tors. theta energy: -15.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -302.166219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.166219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.166219 (E_RNA) where: Base-Base interactions energy: -195.483 where: short stacking energy: -83.759 Base-Backbone interact. energy: -1.068 local terms energy: -105.615138 where: bonds (distance) C4'-P energy: -16.723 bonds (distance) P-C4' energy: -18.742 flat angles C4'-P-C4' energy: -25.822 flat angles P-C4'-P energy: -19.160 tors. eta vs tors. theta energy: -25.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -201.795805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.795805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.795805 (E_RNA) where: Base-Base interactions energy: -111.042 where: short stacking energy: -61.494 Base-Backbone interact. energy: -0.877 local terms energy: -89.876586 where: bonds (distance) C4'-P energy: -22.839 bonds (distance) P-C4' energy: -21.420 flat angles C4'-P-C4' energy: -19.415 flat angles P-C4'-P energy: -19.162 tors. eta vs tors. theta energy: -7.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -138.616173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.616173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.616173 (E_RNA) where: Base-Base interactions energy: -67.240 where: short stacking energy: -46.522 Base-Backbone interact. energy: -0.437 local terms energy: -70.939228 where: bonds (distance) C4'-P energy: -17.100 bonds (distance) P-C4' energy: -18.804 flat angles C4'-P-C4' energy: -20.654 flat angles P-C4'-P energy: -11.923 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -127.010585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.010585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.010585 (E_RNA) where: Base-Base interactions energy: -70.988 where: short stacking energy: -31.440 Base-Backbone interact. energy: -1.180 local terms energy: -54.842158 where: bonds (distance) C4'-P energy: -19.044 bonds (distance) P-C4' energy: -21.843 flat angles C4'-P-C4' energy: -14.561 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: 6.788 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: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -407.804068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.804068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.804068 (E_RNA) where: Base-Base interactions energy: -274.545 where: short stacking energy: -121.387 Base-Backbone interact. energy: -1.342 local terms energy: -131.916715 where: bonds (distance) C4'-P energy: -26.409 bonds (distance) P-C4' energy: -21.525 flat angles C4'-P-C4' energy: -28.320 flat angles P-C4'-P energy: -17.622 tors. eta vs tors. theta energy: -38.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -384.352571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.352571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.352571 (E_RNA) where: Base-Base interactions energy: -264.090 where: short stacking energy: -119.847 Base-Backbone interact. energy: -1.490 local terms energy: -118.772508 where: bonds (distance) C4'-P energy: -22.679 bonds (distance) P-C4' energy: -21.629 flat angles C4'-P-C4' energy: -25.206 flat angles P-C4'-P energy: -18.735 tors. eta vs tors. theta energy: -30.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -372.549521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.549521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.549521 (E_RNA) where: Base-Base interactions energy: -250.042 where: short stacking energy: -113.674 Base-Backbone interact. energy: -0.571 local terms energy: -121.936697 where: bonds (distance) C4'-P energy: -24.820 bonds (distance) P-C4' energy: -22.956 flat angles C4'-P-C4' energy: -22.866 flat angles P-C4'-P energy: -19.088 tors. eta vs tors. theta energy: -32.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -350.860175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.860175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.860175 (E_RNA) where: Base-Base interactions energy: -241.966 where: short stacking energy: -95.944 Base-Backbone interact. energy: -0.141 local terms energy: -108.752585 where: bonds (distance) C4'-P energy: -23.405 bonds (distance) P-C4' energy: -24.860 flat angles C4'-P-C4' energy: -21.206 flat angles P-C4'-P energy: -14.823 tors. eta vs tors. theta energy: -24.458 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: 125 Temperature: 1.100000 Total energy: -353.357125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.357125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.357125 (E_RNA) where: Base-Base interactions energy: -228.777 where: short stacking energy: -113.654 Base-Backbone interact. energy: -1.545 local terms energy: -123.034624 where: bonds (distance) C4'-P energy: -22.889 bonds (distance) P-C4' energy: -23.054 flat angles C4'-P-C4' energy: -24.345 flat angles P-C4'-P energy: -16.950 tors. eta vs tors. theta energy: -35.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -309.812240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.812240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.812240 (E_RNA) where: Base-Base interactions energy: -209.647 where: short stacking energy: -99.913 Base-Backbone interact. energy: -0.270 local terms energy: -99.895988 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -21.142 flat angles C4'-P-C4' energy: -25.156 flat angles P-C4'-P energy: -14.584 tors. eta vs tors. theta energy: -25.315 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: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -251.865132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.865132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.865132 (E_RNA) where: Base-Base interactions energy: -170.061 where: short stacking energy: -80.887 Base-Backbone interact. energy: -0.447 local terms energy: -81.357587 where: bonds (distance) C4'-P energy: -21.389 bonds (distance) P-C4' energy: -16.864 flat angles C4'-P-C4' energy: -24.065 flat angles P-C4'-P energy: -8.630 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -180.890663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.890663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.890663 (E_RNA) where: Base-Base interactions energy: -95.281 where: short stacking energy: -53.209 Base-Backbone interact. energy: -0.146 local terms energy: -85.463366 where: bonds (distance) C4'-P energy: -20.294 bonds (distance) P-C4' energy: -25.513 flat angles C4'-P-C4' energy: -16.328 flat angles P-C4'-P energy: -15.956 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -210.622654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.622654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.622654 (E_RNA) where: Base-Base interactions energy: -126.460 where: short stacking energy: -54.921 Base-Backbone interact. energy: -0.484 local terms energy: -83.679001 where: bonds (distance) C4'-P energy: -19.769 bonds (distance) P-C4' energy: -23.167 flat angles C4'-P-C4' energy: -17.436 flat angles P-C4'-P energy: -15.138 tors. eta vs tors. theta energy: -8.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -187.837286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.837286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.837286 (E_RNA) where: Base-Base interactions energy: -113.959 where: short stacking energy: -70.735 Base-Backbone interact. energy: 2.282 local terms energy: -76.160604 where: bonds (distance) C4'-P energy: -17.056 bonds (distance) P-C4' energy: -20.392 flat angles C4'-P-C4' energy: -20.275 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -8.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -421.835504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.835504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.835504 (E_RNA) where: Base-Base interactions energy: -290.666 where: short stacking energy: -114.743 Base-Backbone interact. energy: -0.627 local terms energy: -130.541827 where: bonds (distance) C4'-P energy: -27.296 bonds (distance) P-C4' energy: -25.491 flat angles C4'-P-C4' energy: -25.637 flat angles P-C4'-P energy: -16.872 tors. eta vs tors. theta energy: -35.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -381.649651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.649651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.649651 (E_RNA) where: Base-Base interactions energy: -261.594 where: short stacking energy: -117.522 Base-Backbone interact. energy: -0.370 local terms energy: -119.686164 where: bonds (distance) C4'-P energy: -24.471 bonds (distance) P-C4' energy: -21.409 flat angles C4'-P-C4' energy: -25.799 flat angles P-C4'-P energy: -15.872 tors. eta vs tors. theta energy: -32.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -367.306813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.306813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.306813 (E_RNA) where: Base-Base interactions energy: -245.540 where: short stacking energy: -95.891 Base-Backbone interact. energy: -0.417 local terms energy: -121.349851 where: bonds (distance) C4'-P energy: -29.584 bonds (distance) P-C4' energy: -24.031 flat angles C4'-P-C4' energy: -25.573 flat angles P-C4'-P energy: -10.832 tors. eta vs tors. theta energy: -31.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -347.922170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.922170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.922170 (E_RNA) where: Base-Base interactions energy: -240.710 where: short stacking energy: -98.787 Base-Backbone interact. energy: -0.921 local terms energy: -106.290787 where: bonds (distance) C4'-P energy: -21.826 bonds (distance) P-C4' energy: -23.293 flat angles C4'-P-C4' energy: -23.508 flat angles P-C4'-P energy: -15.835 tors. eta vs tors. theta energy: -21.829 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: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -339.545430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.545430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.545430 (E_RNA) where: Base-Base interactions energy: -223.656 where: short stacking energy: -97.527 Base-Backbone interact. energy: -0.030 local terms energy: -115.858574 where: bonds (distance) C4'-P energy: -17.286 bonds (distance) P-C4' energy: -26.346 flat angles C4'-P-C4' energy: -25.345 flat angles P-C4'-P energy: -18.523 tors. eta vs tors. theta energy: -28.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -342.906861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.906861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.906861 (E_RNA) where: Base-Base interactions energy: -227.846 where: short stacking energy: -106.318 Base-Backbone interact. energy: -0.200 local terms energy: -114.860740 where: bonds (distance) C4'-P energy: -23.705 bonds (distance) P-C4' energy: -18.735 flat angles C4'-P-C4' energy: -26.147 flat angles P-C4'-P energy: -16.418 tors. eta vs tors. theta energy: -29.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -244.106584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.106584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.106584 (E_RNA) where: Base-Base interactions energy: -153.903 where: short stacking energy: -66.094 Base-Backbone interact. energy: -0.589 local terms energy: -89.614761 where: bonds (distance) C4'-P energy: -17.276 bonds (distance) P-C4' energy: -26.416 flat angles C4'-P-C4' energy: -21.595 flat angles P-C4'-P energy: -13.271 tors. eta vs tors. theta energy: -11.057 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: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -203.568698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.568698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.568698 (E_RNA) where: Base-Base interactions energy: -105.825 where: short stacking energy: -56.803 Base-Backbone interact. energy: -0.593 local terms energy: -97.150928 where: bonds (distance) C4'-P energy: -21.457 bonds (distance) P-C4' energy: -25.229 flat angles C4'-P-C4' energy: -25.528 flat angles P-C4'-P energy: -18.528 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -219.157662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.157662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.157662 (E_RNA) where: Base-Base interactions energy: -129.069 where: short stacking energy: -63.389 Base-Backbone interact. energy: -0.257 local terms energy: -89.831971 where: bonds (distance) C4'-P energy: -22.051 bonds (distance) P-C4' energy: -24.355 flat angles C4'-P-C4' energy: -18.509 flat angles P-C4'-P energy: -12.480 tors. eta vs tors. theta energy: -12.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -167.827900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.827900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.827900 (E_RNA) where: Base-Base interactions energy: -103.321 where: short stacking energy: -47.230 Base-Backbone interact. energy: -1.250 local terms energy: -63.256481 where: bonds (distance) C4'-P energy: -15.827 bonds (distance) P-C4' energy: -18.568 flat angles C4'-P-C4' energy: -17.844 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -401.729024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.729024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.729024 (E_RNA) where: Base-Base interactions energy: -273.104 where: short stacking energy: -121.241 Base-Backbone interact. energy: -1.105 local terms energy: -127.519440 where: bonds (distance) C4'-P energy: -22.901 bonds (distance) P-C4' energy: -22.341 flat angles C4'-P-C4' energy: -27.441 flat angles P-C4'-P energy: -18.822 tors. eta vs tors. theta energy: -36.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -395.589809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.589809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.589809 (E_RNA) where: Base-Base interactions energy: -267.080 where: short stacking energy: -110.914 Base-Backbone interact. energy: -0.054 local terms energy: -128.455829 where: bonds (distance) C4'-P energy: -22.812 bonds (distance) P-C4' energy: -26.899 flat angles C4'-P-C4' energy: -22.324 flat angles P-C4'-P energy: -17.420 tors. eta vs tors. theta energy: -39.001 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: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -380.679740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.679740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.679740 (E_RNA) where: Base-Base interactions energy: -256.010 where: short stacking energy: -114.516 Base-Backbone interact. energy: -0.764 local terms energy: -123.906026 where: bonds (distance) C4'-P energy: -23.656 bonds (distance) P-C4' energy: -22.759 flat angles C4'-P-C4' energy: -20.746 flat angles P-C4'-P energy: -20.749 tors. eta vs tors. theta energy: -35.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -350.117796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.117796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.117796 (E_RNA) where: Base-Base interactions energy: -221.864 where: short stacking energy: -99.361 Base-Backbone interact. energy: -0.593 local terms energy: -127.660783 where: bonds (distance) C4'-P energy: -24.034 bonds (distance) P-C4' energy: -25.642 flat angles C4'-P-C4' energy: -24.498 flat angles P-C4'-P energy: -21.064 tors. eta vs tors. theta energy: -32.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -351.893444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.893444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.893444 (E_RNA) where: Base-Base interactions energy: -232.391 where: short stacking energy: -119.352 Base-Backbone interact. energy: -0.238 local terms energy: -119.264497 where: bonds (distance) C4'-P energy: -25.118 bonds (distance) P-C4' energy: -24.071 flat angles C4'-P-C4' energy: -22.769 flat angles P-C4'-P energy: -15.428 tors. eta vs tors. theta energy: -31.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -317.713318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.713318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.713318 (E_RNA) where: Base-Base interactions energy: -212.489 where: short stacking energy: -96.145 Base-Backbone interact. energy: -0.185 local terms energy: -105.040109 where: bonds (distance) C4'-P energy: -21.836 bonds (distance) P-C4' energy: -22.730 flat angles C4'-P-C4' energy: -23.595 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -30.051 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: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -235.436708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.436708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.436708 (E_RNA) where: Base-Base interactions energy: -144.596 where: short stacking energy: -60.523 Base-Backbone interact. energy: -0.244 local terms energy: -90.597541 where: bonds (distance) C4'-P energy: -19.843 bonds (distance) P-C4' energy: -25.366 flat angles C4'-P-C4' energy: -21.132 flat angles P-C4'-P energy: -11.484 tors. eta vs tors. theta energy: -12.774 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: 127 Temperature: 1.250000 Total energy: -236.847475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.847475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.847475 (E_RNA) where: Base-Base interactions energy: -152.801 where: short stacking energy: -80.630 Base-Backbone interact. energy: -0.352 local terms energy: -83.694468 where: bonds (distance) C4'-P energy: -22.728 bonds (distance) P-C4' energy: -16.198 flat angles C4'-P-C4' energy: -21.637 flat angles P-C4'-P energy: -9.092 tors. eta vs tors. theta energy: -14.039 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: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -190.022521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.022521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.022521 (E_RNA) where: Base-Base interactions energy: -107.989 where: short stacking energy: -49.384 Base-Backbone interact. energy: -0.447 local terms energy: -81.586637 where: bonds (distance) C4'-P energy: -18.712 bonds (distance) P-C4' energy: -26.209 flat angles C4'-P-C4' energy: -17.373 flat angles P-C4'-P energy: -12.493 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -159.425877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.425877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.425877 (E_RNA) where: Base-Base interactions energy: -91.669 where: short stacking energy: -52.875 Base-Backbone interact. energy: -1.045 local terms energy: -66.711795 where: bonds (distance) C4'-P energy: -15.817 bonds (distance) P-C4' energy: -22.331 flat angles C4'-P-C4' energy: -20.544 flat angles P-C4'-P energy: -8.295 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: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -400.047625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.047625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.047625 (E_RNA) where: Base-Base interactions energy: -265.340 where: short stacking energy: -110.133 Base-Backbone interact. energy: -0.973 local terms energy: -133.735421 where: bonds (distance) C4'-P energy: -28.579 bonds (distance) P-C4' energy: -25.441 flat angles C4'-P-C4' energy: -26.334 flat angles P-C4'-P energy: -21.324 tors. eta vs tors. theta energy: -32.058 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: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -403.468927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.468927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.468927 (E_RNA) where: Base-Base interactions energy: -274.311 where: short stacking energy: -128.048 Base-Backbone interact. energy: -0.002 local terms energy: -129.156836 where: bonds (distance) C4'-P energy: -19.962 bonds (distance) P-C4' energy: -26.874 flat angles C4'-P-C4' energy: -24.735 flat angles P-C4'-P energy: -18.264 tors. eta vs tors. theta energy: -39.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -363.037232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.037232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.037232 (E_RNA) where: Base-Base interactions energy: -237.270 where: short stacking energy: -109.466 Base-Backbone interact. energy: -0.749 local terms energy: -125.018423 where: bonds (distance) C4'-P energy: -23.564 bonds (distance) P-C4' energy: -24.540 flat angles C4'-P-C4' energy: -25.978 flat angles P-C4'-P energy: -17.042 tors. eta vs tors. theta energy: -33.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -369.626705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.626705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.626705 (E_RNA) where: Base-Base interactions energy: -256.535 where: short stacking energy: -103.872 Base-Backbone interact. energy: -0.333 local terms energy: -112.758236 where: bonds (distance) C4'-P energy: -19.912 bonds (distance) P-C4' energy: -19.037 flat angles C4'-P-C4' energy: -26.243 flat angles P-C4'-P energy: -13.863 tors. eta vs tors. theta energy: -33.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -333.619965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.619965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.619965 (E_RNA) where: Base-Base interactions energy: -222.972 where: short stacking energy: -109.265 Base-Backbone interact. energy: -0.052 local terms energy: -110.596422 where: bonds (distance) C4'-P energy: -19.591 bonds (distance) P-C4' energy: -18.504 flat angles C4'-P-C4' energy: -26.138 flat angles P-C4'-P energy: -12.415 tors. eta vs tors. theta energy: -33.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -321.554139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.554139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.554139 (E_RNA) where: Base-Base interactions energy: -206.308 where: short stacking energy: -101.735 Base-Backbone interact. energy: 0.107 local terms energy: -115.353567 where: bonds (distance) C4'-P energy: -20.120 bonds (distance) P-C4' energy: -26.234 flat angles C4'-P-C4' energy: -19.620 flat angles P-C4'-P energy: -20.754 tors. eta vs tors. theta energy: -28.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -257.039551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.039551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.039551 (E_RNA) where: Base-Base interactions energy: -155.244 where: short stacking energy: -75.432 Base-Backbone interact. energy: -0.722 local terms energy: -101.072789 where: bonds (distance) C4'-P energy: -22.663 bonds (distance) P-C4' energy: -26.617 flat angles C4'-P-C4' energy: -21.563 flat angles P-C4'-P energy: -15.066 tors. eta vs tors. theta energy: -15.165 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: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -242.540915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.540915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.540915 (E_RNA) where: Base-Base interactions energy: -150.276 where: short stacking energy: -70.779 Base-Backbone interact. energy: -1.119 local terms energy: -91.145191 where: bonds (distance) C4'-P energy: -25.499 bonds (distance) P-C4' energy: -24.172 flat angles C4'-P-C4' energy: -18.000 flat angles P-C4'-P energy: -13.114 tors. eta vs tors. theta energy: -10.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -186.906106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.906106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.906106 (E_RNA) where: Base-Base interactions energy: -121.450 where: short stacking energy: -71.595 Base-Backbone interact. energy: -0.745 local terms energy: -64.710761 where: bonds (distance) C4'-P energy: -9.385 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -17.481 flat angles P-C4'-P energy: -2.045 tors. eta vs tors. theta energy: -18.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -180.478945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.478945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.478945 (E_RNA) where: Base-Base interactions energy: -93.835 where: short stacking energy: -42.189 Base-Backbone interact. energy: -0.634 local terms energy: -86.010506 where: bonds (distance) C4'-P energy: -23.929 bonds (distance) P-C4' energy: -24.152 flat angles C4'-P-C4' energy: -17.570 flat angles P-C4'-P energy: -16.147 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -406.490237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.490237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.490237 (E_RNA) where: Base-Base interactions energy: -281.347 where: short stacking energy: -123.858 Base-Backbone interact. energy: -0.413 local terms energy: -124.730627 where: bonds (distance) C4'-P energy: -23.500 bonds (distance) P-C4' energy: -23.621 flat angles C4'-P-C4' energy: -25.642 flat angles P-C4'-P energy: -15.093 tors. eta vs tors. theta energy: -36.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -398.700734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.700734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.700734 (E_RNA) where: Base-Base interactions energy: -273.116 where: short stacking energy: -120.348 Base-Backbone interact. energy: -0.538 local terms energy: -125.045980 where: bonds (distance) C4'-P energy: -23.776 bonds (distance) P-C4' energy: -26.244 flat angles C4'-P-C4' energy: -23.822 flat angles P-C4'-P energy: -14.461 tors. eta vs tors. theta energy: -36.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -355.184865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.184865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.184865 (E_RNA) where: Base-Base interactions energy: -237.956 where: short stacking energy: -112.130 Base-Backbone interact. energy: -0.013 local terms energy: -117.215968 where: bonds (distance) C4'-P energy: -24.625 bonds (distance) P-C4' energy: -21.756 flat angles C4'-P-C4' energy: -24.586 flat angles P-C4'-P energy: -13.075 tors. eta vs tors. theta energy: -33.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -351.818358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.818358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.818358 (E_RNA) where: Base-Base interactions energy: -227.341 where: short stacking energy: -112.192 Base-Backbone interact. energy: -0.471 local terms energy: -124.005999 where: bonds (distance) C4'-P energy: -23.284 bonds (distance) P-C4' energy: -21.264 flat angles C4'-P-C4' energy: -24.249 flat angles P-C4'-P energy: -19.516 tors. eta vs tors. theta energy: -35.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -321.334870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.334870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.334870 (E_RNA) where: Base-Base interactions energy: -221.186 where: short stacking energy: -87.725 Base-Backbone interact. energy: -0.455 local terms energy: -99.693505 where: bonds (distance) C4'-P energy: -19.122 bonds (distance) P-C4' energy: -23.570 flat angles C4'-P-C4' energy: -19.961 flat angles P-C4'-P energy: -12.607 tors. eta vs tors. theta energy: -24.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -252.243616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.243616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.243616 (E_RNA) where: Base-Base interactions energy: -155.540 where: short stacking energy: -82.997 Base-Backbone interact. energy: -0.571 local terms energy: -96.133038 where: bonds (distance) C4'-P energy: -17.855 bonds (distance) P-C4' energy: -25.069 flat angles C4'-P-C4' energy: -17.360 flat angles P-C4'-P energy: -13.852 tors. eta vs tors. theta energy: -21.998 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: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -306.342150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.342150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.342150 (E_RNA) where: Base-Base interactions energy: -208.968 where: short stacking energy: -90.356 Base-Backbone interact. energy: -0.664 local terms energy: -96.710698 where: bonds (distance) C4'-P energy: -20.166 bonds (distance) P-C4' energy: -16.340 flat angles C4'-P-C4' energy: -22.563 flat angles P-C4'-P energy: -16.095 tors. eta vs tors. theta energy: -21.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -243.549647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.549647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.549647 (E_RNA) where: Base-Base interactions energy: -153.657 where: short stacking energy: -74.183 Base-Backbone interact. energy: -0.574 local terms energy: -89.317946 where: bonds (distance) C4'-P energy: -20.464 bonds (distance) P-C4' energy: -18.657 flat angles C4'-P-C4' energy: -20.481 flat angles P-C4'-P energy: -16.681 tors. eta vs tors. theta energy: -13.034 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: 129 Temperature: 1.300000 Total energy: -185.272059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.272059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.272059 (E_RNA) where: Base-Base interactions energy: -105.578 where: short stacking energy: -49.024 Base-Backbone interact. energy: -0.245 local terms energy: -79.449033 where: bonds (distance) C4'-P energy: -21.125 bonds (distance) P-C4' energy: -20.280 flat angles C4'-P-C4' energy: -19.541 flat angles P-C4'-P energy: -8.769 tors. eta vs tors. theta energy: -9.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -189.418933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.418933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.418933 (E_RNA) where: Base-Base interactions energy: -108.433 where: short stacking energy: -51.598 Base-Backbone interact. energy: -0.188 local terms energy: -80.798440 where: bonds (distance) C4'-P energy: -21.769 bonds (distance) P-C4' energy: -22.388 flat angles C4'-P-C4' energy: -20.539 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -12.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -402.378421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.378421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.378421 (E_RNA) where: Base-Base interactions energy: -279.272 where: short stacking energy: -122.150 Base-Backbone interact. energy: -0.144 local terms energy: -122.961810 where: bonds (distance) C4'-P energy: -22.965 bonds (distance) P-C4' energy: -23.700 flat angles C4'-P-C4' energy: -25.901 flat angles P-C4'-P energy: -16.384 tors. eta vs tors. theta energy: -34.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -411.303923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.303923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.303923 (E_RNA) where: Base-Base interactions energy: -276.548 where: short stacking energy: -121.549 Base-Backbone interact. energy: -0.450 local terms energy: -134.306386 where: bonds (distance) C4'-P energy: -26.500 bonds (distance) P-C4' energy: -22.651 flat angles C4'-P-C4' energy: -26.883 flat angles P-C4'-P energy: -20.007 tors. eta vs tors. theta energy: -38.266 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: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -365.158715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.158715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.158715 (E_RNA) where: Base-Base interactions energy: -243.065 where: short stacking energy: -115.408 Base-Backbone interact. energy: -0.045 local terms energy: -122.048919 where: bonds (distance) C4'-P energy: -25.755 bonds (distance) P-C4' energy: -21.421 flat angles C4'-P-C4' energy: -22.745 flat angles P-C4'-P energy: -18.082 tors. eta vs tors. theta energy: -34.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -359.767612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.767612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.767612 (E_RNA) where: Base-Base interactions energy: -236.838 where: short stacking energy: -125.704 Base-Backbone interact. energy: -0.728 local terms energy: -122.201887 where: bonds (distance) C4'-P energy: -20.323 bonds (distance) P-C4' energy: -17.977 flat angles C4'-P-C4' energy: -26.329 flat angles P-C4'-P energy: -21.676 tors. eta vs tors. theta energy: -35.897 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: 130 Temperature: 1.100000 Total energy: -323.893961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.893961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.893961 (E_RNA) where: Base-Base interactions energy: -218.968 where: short stacking energy: -92.638 Base-Backbone interact. energy: -0.781 local terms energy: -104.144722 where: bonds (distance) C4'-P energy: -21.008 bonds (distance) P-C4' energy: -19.869 flat angles C4'-P-C4' energy: -20.327 flat angles P-C4'-P energy: -19.284 tors. eta vs tors. theta energy: -23.658 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: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -260.480785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.480785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.480785 (E_RNA) where: Base-Base interactions energy: -180.732 where: short stacking energy: -79.075 Base-Backbone interact. energy: -0.311 local terms energy: -79.438250 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -21.845 flat angles C4'-P-C4' energy: -18.195 flat angles P-C4'-P energy: -13.862 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -298.232296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.232296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.232296 (E_RNA) where: Base-Base interactions energy: -197.752 where: short stacking energy: -87.651 Base-Backbone interact. energy: 1.841 local terms energy: -102.321649 where: bonds (distance) C4'-P energy: -22.196 bonds (distance) P-C4' energy: -20.477 flat angles C4'-P-C4' energy: -18.062 flat angles P-C4'-P energy: -14.902 tors. eta vs tors. theta energy: -26.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -228.305922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.305922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.305922 (E_RNA) where: Base-Base interactions energy: -145.945 where: short stacking energy: -53.547 Base-Backbone interact. energy: -0.000 local terms energy: -82.360951 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -22.975 flat angles C4'-P-C4' energy: -17.534 flat angles P-C4'-P energy: -15.933 tors. eta vs tors. theta energy: -11.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -211.101458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.101458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.101458 (E_RNA) where: Base-Base interactions energy: -138.638 where: short stacking energy: -65.356 Base-Backbone interact. energy: -0.450 local terms energy: -72.013633 where: bonds (distance) C4'-P energy: -15.016 bonds (distance) P-C4' energy: -20.021 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -12.551 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: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -223.480215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.480215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.480215 (E_RNA) where: Base-Base interactions energy: -153.954 where: short stacking energy: -65.341 Base-Backbone interact. energy: -0.552 local terms energy: -68.974724 where: bonds (distance) C4'-P energy: -23.292 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -18.013 flat angles P-C4'-P energy: -13.747 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: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -392.155807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.155807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.155807 (E_RNA) where: Base-Base interactions energy: -269.113 where: short stacking energy: -118.692 Base-Backbone interact. energy: -0.821 local terms energy: -122.221835 where: bonds (distance) C4'-P energy: -19.497 bonds (distance) P-C4' energy: -19.744 flat angles C4'-P-C4' energy: -26.737 flat angles P-C4'-P energy: -20.360 tors. eta vs tors. theta energy: -35.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -408.739477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.739477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.739477 (E_RNA) where: Base-Base interactions energy: -282.237 where: short stacking energy: -122.646 Base-Backbone interact. energy: -0.100 local terms energy: -126.402271 where: bonds (distance) C4'-P energy: -24.588 bonds (distance) P-C4' energy: -22.788 flat angles C4'-P-C4' energy: -26.961 flat angles P-C4'-P energy: -17.873 tors. eta vs tors. theta energy: -34.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -356.275261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.275261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.275261 (E_RNA) where: Base-Base interactions energy: -240.169 where: short stacking energy: -104.554 Base-Backbone interact. energy: -0.045 local terms energy: -116.061237 where: bonds (distance) C4'-P energy: -20.916 bonds (distance) P-C4' energy: -24.166 flat angles C4'-P-C4' energy: -24.643 flat angles P-C4'-P energy: -15.094 tors. eta vs tors. theta energy: -31.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -336.121704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.121704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.121704 (E_RNA) where: Base-Base interactions energy: -227.416 where: short stacking energy: -96.990 Base-Backbone interact. energy: -1.000 local terms energy: -107.706581 where: bonds (distance) C4'-P energy: -18.050 bonds (distance) P-C4' energy: -26.188 flat angles C4'-P-C4' energy: -21.948 flat angles P-C4'-P energy: -16.133 tors. eta vs tors. theta energy: -25.387 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -344.345835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.345835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.345835 (E_RNA) where: Base-Base interactions energy: -225.443 where: short stacking energy: -114.687 Base-Backbone interact. energy: -0.484 local terms energy: -118.418400 where: bonds (distance) C4'-P energy: -21.487 bonds (distance) P-C4' energy: -20.709 flat angles C4'-P-C4' energy: -24.235 flat angles P-C4'-P energy: -17.728 tors. eta vs tors. theta energy: -34.258 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: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -325.544360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.544360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.544360 (E_RNA) where: Base-Base interactions energy: -224.037 where: short stacking energy: -86.090 Base-Backbone interact. energy: -2.323 local terms energy: -99.184742 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -24.336 flat angles C4'-P-C4' energy: -22.055 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -25.561 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: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -260.640253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.640253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.640253 (E_RNA) where: Base-Base interactions energy: -162.550 where: short stacking energy: -86.047 Base-Backbone interact. energy: -0.092 local terms energy: -97.998249 where: bonds (distance) C4'-P energy: -18.631 bonds (distance) P-C4' energy: -25.058 flat angles C4'-P-C4' energy: -24.211 flat angles P-C4'-P energy: -7.800 tors. eta vs tors. theta energy: -22.299 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: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -232.698560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.698560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.698560 (E_RNA) where: Base-Base interactions energy: -161.183 where: short stacking energy: -75.086 Base-Backbone interact. energy: 0.806 local terms energy: -72.322234 where: bonds (distance) C4'-P energy: -16.683 bonds (distance) P-C4' energy: -16.627 flat angles C4'-P-C4' energy: -16.593 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -13.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -198.287240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.287240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.287240 (E_RNA) where: Base-Base interactions energy: -100.606 where: short stacking energy: -50.414 Base-Backbone interact. energy: -0.442 local terms energy: -97.238399 where: bonds (distance) C4'-P energy: -20.501 bonds (distance) P-C4' energy: -25.937 flat angles C4'-P-C4' energy: -24.595 flat angles P-C4'-P energy: -15.328 tors. eta vs tors. theta energy: -10.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -217.908848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.908848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.908848 (E_RNA) where: Base-Base interactions energy: -141.145 where: short stacking energy: -64.147 Base-Backbone interact. energy: -1.572 local terms energy: -75.192530 where: bonds (distance) C4'-P energy: -18.535 bonds (distance) P-C4' energy: -21.294 flat angles C4'-P-C4' energy: -16.230 flat angles P-C4'-P energy: -13.727 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -405.383708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.383708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.383708 (E_RNA) where: Base-Base interactions energy: -274.177 where: short stacking energy: -113.569 Base-Backbone interact. energy: -0.032 local terms energy: -131.174253 where: bonds (distance) C4'-P energy: -21.623 bonds (distance) P-C4' energy: -27.561 flat angles C4'-P-C4' energy: -28.574 flat angles P-C4'-P energy: -17.892 tors. eta vs tors. theta energy: -35.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -397.384151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.384151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.384151 (E_RNA) where: Base-Base interactions energy: -274.814 where: short stacking energy: -125.888 Base-Backbone interact. energy: -1.188 local terms energy: -121.382252 where: bonds (distance) C4'-P energy: -19.218 bonds (distance) P-C4' energy: -21.079 flat angles C4'-P-C4' energy: -25.311 flat angles P-C4'-P energy: -17.499 tors. eta vs tors. theta energy: -38.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -350.342018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.342018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.342018 (E_RNA) where: Base-Base interactions energy: -232.650 where: short stacking energy: -96.450 Base-Backbone interact. energy: -1.842 local terms energy: -115.849795 where: bonds (distance) C4'-P energy: -24.364 bonds (distance) P-C4' energy: -21.901 flat angles C4'-P-C4' energy: -24.883 flat angles P-C4'-P energy: -18.842 tors. eta vs tors. theta energy: -25.861 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: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -352.262981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.262981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.262981 (E_RNA) where: Base-Base interactions energy: -237.390 where: short stacking energy: -111.655 Base-Backbone interact. energy: -0.040 local terms energy: -114.832299 where: bonds (distance) C4'-P energy: -23.570 bonds (distance) P-C4' energy: -17.895 flat angles C4'-P-C4' energy: -26.228 flat angles P-C4'-P energy: -15.587 tors. eta vs tors. theta energy: -31.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -347.653017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.653017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.653017 (E_RNA) where: Base-Base interactions energy: -231.041 where: short stacking energy: -114.703 Base-Backbone interact. energy: -0.054 local terms energy: -116.557776 where: bonds (distance) C4'-P energy: -18.714 bonds (distance) P-C4' energy: -24.679 flat angles C4'-P-C4' energy: -22.705 flat angles P-C4'-P energy: -15.596 tors. eta vs tors. theta energy: -34.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -323.710447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.710447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.710447 (E_RNA) where: Base-Base interactions energy: -210.642 where: short stacking energy: -106.452 Base-Backbone interact. energy: -0.023 local terms energy: -113.045481 where: bonds (distance) C4'-P energy: -19.462 bonds (distance) P-C4' energy: -20.182 flat angles C4'-P-C4' energy: -21.962 flat angles P-C4'-P energy: -16.039 tors. eta vs tors. theta energy: -35.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -247.470035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.470035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.470035 (E_RNA) where: Base-Base interactions energy: -149.335 where: short stacking energy: -73.685 Base-Backbone interact. energy: 1.916 local terms energy: -100.051261 where: bonds (distance) C4'-P energy: -14.225 bonds (distance) P-C4' energy: -24.778 flat angles C4'-P-C4' energy: -28.659 flat angles P-C4'-P energy: -14.036 tors. eta vs tors. theta energy: -18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -248.675133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.675133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.675133 (E_RNA) where: Base-Base interactions energy: -166.629 where: short stacking energy: -77.172 Base-Backbone interact. energy: -0.668 local terms energy: -81.377712 where: bonds (distance) C4'-P energy: -15.985 bonds (distance) P-C4' energy: -21.599 flat angles C4'-P-C4' energy: -21.521 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -19.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -205.417493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.417493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.417493 (E_RNA) where: Base-Base interactions energy: -132.825 where: short stacking energy: -66.017 Base-Backbone interact. energy: 0.698 local terms energy: -73.290070 where: bonds (distance) C4'-P energy: -21.484 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -15.881 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: -7.932 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: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -175.504527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.504527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.504527 (E_RNA) where: Base-Base interactions energy: -103.074 where: short stacking energy: -52.600 Base-Backbone interact. energy: 0.308 local terms energy: -72.737825 where: bonds (distance) C4'-P energy: -19.797 bonds (distance) P-C4' energy: -17.811 flat angles C4'-P-C4' energy: -22.667 flat angles P-C4'-P energy: -11.542 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: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -412.704137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.704137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.704137 (E_RNA) where: Base-Base interactions energy: -285.213 where: short stacking energy: -117.242 Base-Backbone interact. energy: -0.712 local terms energy: -126.778811 where: bonds (distance) C4'-P energy: -23.749 bonds (distance) P-C4' energy: -23.313 flat angles C4'-P-C4' energy: -23.784 flat angles P-C4'-P energy: -17.460 tors. eta vs tors. theta energy: -38.472 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: 3 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -382.983330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.983330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.983330 (E_RNA) where: Base-Base interactions energy: -266.316 where: short stacking energy: -113.283 Base-Backbone interact. energy: 2.513 local terms energy: -119.179717 where: bonds (distance) C4'-P energy: -24.399 bonds (distance) P-C4' energy: -23.206 flat angles C4'-P-C4' energy: -26.322 flat angles P-C4'-P energy: -13.128 tors. eta vs tors. theta energy: -32.124 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: 133 Temperature: 1.000000 Total energy: -364.398183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.398183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.398183 (E_RNA) where: Base-Base interactions energy: -246.715 where: short stacking energy: -111.343 Base-Backbone interact. energy: -0.337 local terms energy: -117.346582 where: bonds (distance) C4'-P energy: -18.021 bonds (distance) P-C4' energy: -26.232 flat angles C4'-P-C4' energy: -26.709 flat angles P-C4'-P energy: -12.354 tors. eta vs tors. theta energy: -34.031 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: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -353.618772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.618772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.618772 (E_RNA) where: Base-Base interactions energy: -227.453 where: short stacking energy: -119.946 Base-Backbone interact. energy: -0.274 local terms energy: -125.891803 where: bonds (distance) C4'-P energy: -23.539 bonds (distance) P-C4' energy: -23.822 flat angles C4'-P-C4' energy: -28.107 flat angles P-C4'-P energy: -16.486 tors. eta vs tors. theta energy: -33.937 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: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -344.294565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.294565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.294565 (E_RNA) where: Base-Base interactions energy: -221.315 where: short stacking energy: -98.016 Base-Backbone interact. energy: -1.506 local terms energy: -121.474002 where: bonds (distance) C4'-P energy: -24.631 bonds (distance) P-C4' energy: -19.718 flat angles C4'-P-C4' energy: -27.713 flat angles P-C4'-P energy: -20.222 tors. eta vs tors. theta energy: -29.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -323.594295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.594295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.594295 (E_RNA) where: Base-Base interactions energy: -204.332 where: short stacking energy: -97.737 Base-Backbone interact. energy: -0.052 local terms energy: -119.211032 where: bonds (distance) C4'-P energy: -16.202 bonds (distance) P-C4' energy: -28.178 flat angles C4'-P-C4' energy: -25.393 flat angles P-C4'-P energy: -17.876 tors. eta vs tors. theta energy: -31.562 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: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -270.804115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.804115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.804115 (E_RNA) where: Base-Base interactions energy: -173.176 where: short stacking energy: -70.435 Base-Backbone interact. energy: -0.489 local terms energy: -97.138797 where: bonds (distance) C4'-P energy: -17.996 bonds (distance) P-C4' energy: -24.091 flat angles C4'-P-C4' energy: -21.627 flat angles P-C4'-P energy: -14.728 tors. eta vs tors. theta energy: -18.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -239.296536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.296536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.296536 (E_RNA) where: Base-Base interactions energy: -154.019 where: short stacking energy: -80.478 Base-Backbone interact. energy: 1.044 local terms energy: -86.321421 where: bonds (distance) C4'-P energy: -17.922 bonds (distance) P-C4' energy: -25.755 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -13.829 tors. eta vs tors. theta energy: -12.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -189.950076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.950076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.950076 (E_RNA) where: Base-Base interactions energy: -119.383 where: short stacking energy: -47.865 Base-Backbone interact. energy: -0.158 local terms energy: -70.409183 where: bonds (distance) C4'-P energy: -17.003 bonds (distance) P-C4' energy: -24.977 flat angles C4'-P-C4' energy: -21.375 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: 1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -200.242361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.242361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.242361 (E_RNA) where: Base-Base interactions energy: -113.625 where: short stacking energy: -62.803 Base-Backbone interact. energy: -0.862 local terms energy: -85.755489 where: bonds (distance) C4'-P energy: -19.835 bonds (distance) P-C4' energy: -23.695 flat angles C4'-P-C4' energy: -15.807 flat angles P-C4'-P energy: -17.443 tors. eta vs tors. theta energy: -8.976 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: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -409.757239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.757239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.757239 (E_RNA) where: Base-Base interactions energy: -293.469 where: short stacking energy: -124.992 Base-Backbone interact. energy: -0.045 local terms energy: -116.243558 where: bonds (distance) C4'-P energy: -21.458 bonds (distance) P-C4' energy: -25.272 flat angles C4'-P-C4' energy: -22.043 flat angles P-C4'-P energy: -13.943 tors. eta vs tors. theta energy: -33.527 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: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -391.377905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.377905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.377905 (E_RNA) where: Base-Base interactions energy: -262.567 where: short stacking energy: -113.939 Base-Backbone interact. energy: -0.274 local terms energy: -128.536469 where: bonds (distance) C4'-P energy: -22.513 bonds (distance) P-C4' energy: -24.694 flat angles C4'-P-C4' energy: -27.902 flat angles P-C4'-P energy: -21.329 tors. eta vs tors. theta energy: -32.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -357.388609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.388609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.388609 (E_RNA) where: Base-Base interactions energy: -239.991 where: short stacking energy: -102.946 Base-Backbone interact. energy: -0.278 local terms energy: -117.119875 where: bonds (distance) C4'-P energy: -26.082 bonds (distance) P-C4' energy: -22.213 flat angles C4'-P-C4' energy: -22.146 flat angles P-C4'-P energy: -19.130 tors. eta vs tors. theta energy: -27.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -345.451408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.451408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.451408 (E_RNA) where: Base-Base interactions energy: -222.341 where: short stacking energy: -109.280 Base-Backbone interact. energy: -0.023 local terms energy: -123.086755 where: bonds (distance) C4'-P energy: -18.242 bonds (distance) P-C4' energy: -23.904 flat angles C4'-P-C4' energy: -27.500 flat angles P-C4'-P energy: -20.443 tors. eta vs tors. theta energy: -32.998 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: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -349.511000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.511000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.511000 (E_RNA) where: Base-Base interactions energy: -236.113 where: short stacking energy: -106.153 Base-Backbone interact. energy: 0.340 local terms energy: -113.737831 where: bonds (distance) C4'-P energy: -23.259 bonds (distance) P-C4' energy: -20.524 flat angles C4'-P-C4' energy: -23.182 flat angles P-C4'-P energy: -17.213 tors. eta vs tors. theta energy: -29.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -317.103348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.103348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.103348 (E_RNA) where: Base-Base interactions energy: -206.082 where: short stacking energy: -92.800 Base-Backbone interact. energy: 0.630 local terms energy: -111.651454 where: bonds (distance) C4'-P energy: -22.535 bonds (distance) P-C4' energy: -17.220 flat angles C4'-P-C4' energy: -25.069 flat angles P-C4'-P energy: -17.716 tors. eta vs tors. theta energy: -29.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -252.052244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.052244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.052244 (E_RNA) where: Base-Base interactions energy: -153.745 where: short stacking energy: -72.054 Base-Backbone interact. energy: -0.137 local terms energy: -98.170873 where: bonds (distance) C4'-P energy: -22.020 bonds (distance) P-C4' energy: -24.028 flat angles C4'-P-C4' energy: -25.878 flat angles P-C4'-P energy: -15.183 tors. eta vs tors. theta energy: -11.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -241.087936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.087936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.087936 (E_RNA) where: Base-Base interactions energy: -137.814 where: short stacking energy: -59.602 Base-Backbone interact. energy: -0.986 local terms energy: -102.287478 where: bonds (distance) C4'-P energy: -26.260 bonds (distance) P-C4' energy: -30.176 flat angles C4'-P-C4' energy: -19.244 flat angles P-C4'-P energy: -13.907 tors. eta vs tors. theta energy: -12.700 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: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -179.400342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.400342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.400342 (E_RNA) where: Base-Base interactions energy: -104.480 where: short stacking energy: -47.750 Base-Backbone interact. energy: 1.290 local terms energy: -76.210960 where: bonds (distance) C4'-P energy: -17.375 bonds (distance) P-C4' energy: -17.286 flat angles C4'-P-C4' energy: -20.104 flat angles P-C4'-P energy: -17.217 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: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -187.548478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.548478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.548478 (E_RNA) where: Base-Base interactions energy: -112.094 where: short stacking energy: -62.349 Base-Backbone interact. energy: -0.717 local terms energy: -74.737273 where: bonds (distance) C4'-P energy: -17.069 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -17.427 flat angles P-C4'-P energy: -14.115 tors. eta vs tors. theta energy: -11.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -404.257982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.257982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.257982 (E_RNA) where: Base-Base interactions energy: -279.475 where: short stacking energy: -124.601 Base-Backbone interact. energy: -0.620 local terms energy: -124.163684 where: bonds (distance) C4'-P energy: -21.418 bonds (distance) P-C4' energy: -25.557 flat angles C4'-P-C4' energy: -19.910 flat angles P-C4'-P energy: -21.327 tors. eta vs tors. theta energy: -35.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -382.851440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.851440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.851440 (E_RNA) where: Base-Base interactions energy: -261.553 where: short stacking energy: -113.841 Base-Backbone interact. energy: -0.210 local terms energy: -121.088259 where: bonds (distance) C4'-P energy: -25.850 bonds (distance) P-C4' energy: -24.434 flat angles C4'-P-C4' energy: -27.085 flat angles P-C4'-P energy: -14.106 tors. eta vs tors. theta energy: -29.613 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: 135 Temperature: 1.000000 Total energy: -354.650553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.650553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.650553 (E_RNA) where: Base-Base interactions energy: -242.579 where: short stacking energy: -108.862 Base-Backbone interact. energy: -0.523 local terms energy: -111.548623 where: bonds (distance) C4'-P energy: -26.244 bonds (distance) P-C4' energy: -21.496 flat angles C4'-P-C4' energy: -20.417 flat angles P-C4'-P energy: -12.951 tors. eta vs tors. theta energy: -30.440 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: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -349.289332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.289332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.289332 (E_RNA) where: Base-Base interactions energy: -214.647 where: short stacking energy: -108.288 Base-Backbone interact. energy: -0.310 local terms energy: -134.332710 where: bonds (distance) C4'-P energy: -26.516 bonds (distance) P-C4' energy: -26.427 flat angles C4'-P-C4' energy: -28.227 flat angles P-C4'-P energy: -18.734 tors. eta vs tors. theta energy: -34.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -335.801135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.801135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.801135 (E_RNA) where: Base-Base interactions energy: -223.934 where: short stacking energy: -98.312 Base-Backbone interact. energy: 0.166 local terms energy: -112.032774 where: bonds (distance) C4'-P energy: -23.847 bonds (distance) P-C4' energy: -18.721 flat angles C4'-P-C4' energy: -21.546 flat angles P-C4'-P energy: -17.826 tors. eta vs tors. theta energy: -30.091 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: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -238.424763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.424763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.424763 (E_RNA) where: Base-Base interactions energy: -146.606 where: short stacking energy: -64.891 Base-Backbone interact. energy: -0.657 local terms energy: -91.161000 where: bonds (distance) C4'-P energy: -21.475 bonds (distance) P-C4' energy: -19.800 flat angles C4'-P-C4' energy: -20.384 flat angles P-C4'-P energy: -16.184 tors. eta vs tors. theta energy: -13.318 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: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -318.595672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.595672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.595672 (E_RNA) where: Base-Base interactions energy: -212.538 where: short stacking energy: -106.051 Base-Backbone interact. energy: -0.224 local terms energy: -105.834607 where: bonds (distance) C4'-P energy: -13.568 bonds (distance) P-C4' energy: -25.387 flat angles C4'-P-C4' energy: -26.284 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -30.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -232.084454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.084454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.084454 (E_RNA) where: Base-Base interactions energy: -148.189 where: short stacking energy: -69.384 Base-Backbone interact. energy: -0.239 local terms energy: -83.656850 where: bonds (distance) C4'-P energy: -16.297 bonds (distance) P-C4' energy: -24.179 flat angles C4'-P-C4' energy: -18.972 flat angles P-C4'-P energy: -14.158 tors. eta vs tors. theta energy: -10.051 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: 135 Temperature: 1.300000 Total energy: -203.160129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.160129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.160129 (E_RNA) where: Base-Base interactions energy: -114.013 where: short stacking energy: -54.174 Base-Backbone interact. energy: 1.248 local terms energy: -90.395992 where: bonds (distance) C4'-P energy: -19.429 bonds (distance) P-C4' energy: -24.338 flat angles C4'-P-C4' energy: -23.886 flat angles P-C4'-P energy: -15.028 tors. eta vs tors. theta energy: -7.715 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: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -197.970887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.970887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.970887 (E_RNA) where: Base-Base interactions energy: -121.359 where: short stacking energy: -59.072 Base-Backbone interact. energy: 4.307 local terms energy: -80.918659 where: bonds (distance) C4'-P energy: -23.114 bonds (distance) P-C4' energy: -21.261 flat angles C4'-P-C4' energy: -19.592 flat angles P-C4'-P energy: -13.441 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -403.454061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.454061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.454061 (E_RNA) where: Base-Base interactions energy: -274.850 where: short stacking energy: -107.125 Base-Backbone interact. energy: -0.965 local terms energy: -127.639722 where: bonds (distance) C4'-P energy: -22.236 bonds (distance) P-C4' energy: -24.059 flat angles C4'-P-C4' energy: -28.175 flat angles P-C4'-P energy: -19.929 tors. eta vs tors. theta energy: -33.242 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: 3 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -372.862020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.862020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.862020 (E_RNA) where: Base-Base interactions energy: -253.909 where: short stacking energy: -109.948 Base-Backbone interact. energy: 0.588 local terms energy: -119.540995 where: bonds (distance) C4'-P energy: -27.477 bonds (distance) P-C4' energy: -23.308 flat angles C4'-P-C4' energy: -26.015 flat angles P-C4'-P energy: -15.535 tors. eta vs tors. theta energy: -27.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -365.162918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.162918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.162918 (E_RNA) where: Base-Base interactions energy: -231.873 where: short stacking energy: -111.922 Base-Backbone interact. energy: -0.006 local terms energy: -133.284051 where: bonds (distance) C4'-P energy: -24.773 bonds (distance) P-C4' energy: -26.707 flat angles C4'-P-C4' energy: -25.709 flat angles P-C4'-P energy: -20.338 tors. eta vs tors. theta energy: -35.757 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: 9 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -357.772646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.772646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.772646 (E_RNA) where: Base-Base interactions energy: -248.540 where: short stacking energy: -100.469 Base-Backbone interact. energy: 0.181 local terms energy: -109.413664 where: bonds (distance) C4'-P energy: -20.079 bonds (distance) P-C4' energy: -22.664 flat angles C4'-P-C4' energy: -24.389 flat angles P-C4'-P energy: -19.689 tors. eta vs tors. theta energy: -22.593 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: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -345.378386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.378386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.378386 (E_RNA) where: Base-Base interactions energy: -226.212 where: short stacking energy: -104.599 Base-Backbone interact. energy: -0.388 local terms energy: -118.779258 where: bonds (distance) C4'-P energy: -21.889 bonds (distance) P-C4' energy: -21.383 flat angles C4'-P-C4' energy: -25.443 flat angles P-C4'-P energy: -16.883 tors. eta vs tors. theta energy: -33.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -257.748034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.748034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.748034 (E_RNA) where: Base-Base interactions energy: -168.632 where: short stacking energy: -71.258 Base-Backbone interact. energy: -0.649 local terms energy: -88.467300 where: bonds (distance) C4'-P energy: -20.150 bonds (distance) P-C4' energy: -21.368 flat angles C4'-P-C4' energy: -19.517 flat angles P-C4'-P energy: -14.689 tors. eta vs tors. theta energy: -12.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -318.304161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.304161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.304161 (E_RNA) where: Base-Base interactions energy: -211.695 where: short stacking energy: -105.308 Base-Backbone interact. energy: -0.751 local terms energy: -105.858378 where: bonds (distance) C4'-P energy: -19.104 bonds (distance) P-C4' energy: -18.338 flat angles C4'-P-C4' energy: -22.158 flat angles P-C4'-P energy: -13.946 tors. eta vs tors. theta energy: -32.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -248.412691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.412691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.412691 (E_RNA) where: Base-Base interactions energy: -160.625 where: short stacking energy: -69.027 Base-Backbone interact. energy: -0.623 local terms energy: -87.164909 where: bonds (distance) C4'-P energy: -19.519 bonds (distance) P-C4' energy: -23.653 flat angles C4'-P-C4' energy: -23.298 flat angles P-C4'-P energy: -9.946 tors. eta vs tors. theta energy: -10.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -189.414562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.414562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.414562 (E_RNA) where: Base-Base interactions energy: -106.208 where: short stacking energy: -62.095 Base-Backbone interact. energy: -1.016 local terms energy: -82.190101 where: bonds (distance) C4'-P energy: -19.910 bonds (distance) P-C4' energy: -19.213 flat angles C4'-P-C4' energy: -18.092 flat angles P-C4'-P energy: -13.816 tors. eta vs tors. theta energy: -11.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -179.325787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.325787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.325787 (E_RNA) where: Base-Base interactions energy: -107.141 where: short stacking energy: -56.399 Base-Backbone interact. energy: -0.791 local terms energy: -71.393727 where: bonds (distance) C4'-P energy: -18.759 bonds (distance) P-C4' energy: -21.323 flat angles C4'-P-C4' energy: -16.380 flat angles P-C4'-P energy: -10.566 tors. eta vs tors. theta energy: -4.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -412.364062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.364062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.364062 (E_RNA) where: Base-Base interactions energy: -290.369 where: short stacking energy: -117.998 Base-Backbone interact. energy: -0.889 local terms energy: -121.106220 where: bonds (distance) C4'-P energy: -24.028 bonds (distance) P-C4' energy: -23.722 flat angles C4'-P-C4' energy: -25.137 flat angles P-C4'-P energy: -14.198 tors. eta vs tors. theta energy: -34.020 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: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -393.343737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.343737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.343737 (E_RNA) where: Base-Base interactions energy: -273.980 where: short stacking energy: -120.571 Base-Backbone interact. energy: -0.334 local terms energy: -119.030195 where: bonds (distance) C4'-P energy: -22.621 bonds (distance) P-C4' energy: -20.690 flat angles C4'-P-C4' energy: -25.259 flat angles P-C4'-P energy: -15.440 tors. eta vs tors. theta energy: -35.021 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: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -365.315283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.315283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.315283 (E_RNA) where: Base-Base interactions energy: -241.609 where: short stacking energy: -119.375 Base-Backbone interact. energy: -0.137 local terms energy: -123.569078 where: bonds (distance) C4'-P energy: -24.130 bonds (distance) P-C4' energy: -20.970 flat angles C4'-P-C4' energy: -28.568 flat angles P-C4'-P energy: -16.529 tors. eta vs tors. theta energy: -33.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -368.693882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.693882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.693882 (E_RNA) where: Base-Base interactions energy: -244.566 where: short stacking energy: -112.101 Base-Backbone interact. energy: -0.020 local terms energy: -124.107128 where: bonds (distance) C4'-P energy: -24.211 bonds (distance) P-C4' energy: -23.871 flat angles C4'-P-C4' energy: -27.273 flat angles P-C4'-P energy: -18.966 tors. eta vs tors. theta energy: -29.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -346.743393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.743393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.743393 (E_RNA) where: Base-Base interactions energy: -220.084 where: short stacking energy: -100.570 Base-Backbone interact. energy: -0.419 local terms energy: -126.239708 where: bonds (distance) C4'-P energy: -22.850 bonds (distance) P-C4' energy: -28.035 flat angles C4'-P-C4' energy: -26.402 flat angles P-C4'-P energy: -15.812 tors. eta vs tors. theta energy: -33.141 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: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -278.062166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.062166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.062166 (E_RNA) where: Base-Base interactions energy: -182.828 where: short stacking energy: -85.208 Base-Backbone interact. energy: -0.186 local terms energy: -95.048613 where: bonds (distance) C4'-P energy: -18.154 bonds (distance) P-C4' energy: -19.872 flat angles C4'-P-C4' energy: -19.515 flat angles P-C4'-P energy: -14.305 tors. eta vs tors. theta energy: -23.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -230.284647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.284647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.284647 (E_RNA) where: Base-Base interactions energy: -149.929 where: short stacking energy: -61.668 Base-Backbone interact. energy: 0.078 local terms energy: -80.433908 where: bonds (distance) C4'-P energy: -15.333 bonds (distance) P-C4' energy: -19.265 flat angles C4'-P-C4' energy: -22.156 flat angles P-C4'-P energy: -14.985 tors. eta vs tors. theta energy: -8.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -241.973014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.973014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.973014 (E_RNA) where: Base-Base interactions energy: -161.418 where: short stacking energy: -66.281 Base-Backbone interact. energy: -0.240 local terms energy: -80.314961 where: bonds (distance) C4'-P energy: -21.745 bonds (distance) P-C4' energy: -20.762 flat angles C4'-P-C4' energy: -20.130 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -10.654 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: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -196.777306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.777306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.777306 (E_RNA) where: Base-Base interactions energy: -123.973 where: short stacking energy: -67.328 Base-Backbone interact. energy: 3.425 local terms energy: -76.228472 where: bonds (distance) C4'-P energy: -19.764 bonds (distance) P-C4' energy: -19.044 flat angles C4'-P-C4' energy: -18.931 flat angles P-C4'-P energy: -11.024 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: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -183.825488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.825488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.825488 (E_RNA) where: Base-Base interactions energy: -102.842 where: short stacking energy: -59.379 Base-Backbone interact. energy: -1.583 local terms energy: -79.401277 where: bonds (distance) C4'-P energy: -24.128 bonds (distance) P-C4' energy: -20.769 flat angles C4'-P-C4' energy: -18.713 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -10.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -401.754271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.754271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.754271 (E_RNA) where: Base-Base interactions energy: -280.837 where: short stacking energy: -112.580 Base-Backbone interact. energy: -0.037 local terms energy: -120.880301 where: bonds (distance) C4'-P energy: -22.402 bonds (distance) P-C4' energy: -18.657 flat angles C4'-P-C4' energy: -28.461 flat angles P-C4'-P energy: -17.602 tors. eta vs tors. theta energy: -33.759 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: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -400.582057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.582057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.582057 (E_RNA) where: Base-Base interactions energy: -275.397 where: short stacking energy: -112.839 Base-Backbone interact. energy: -0.105 local terms energy: -125.080981 where: bonds (distance) C4'-P energy: -27.447 bonds (distance) P-C4' energy: -24.413 flat angles C4'-P-C4' energy: -26.021 flat angles P-C4'-P energy: -16.268 tors. eta vs tors. theta energy: -30.932 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: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -360.519282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.519282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.519282 (E_RNA) where: Base-Base interactions energy: -228.285 where: short stacking energy: -111.849 Base-Backbone interact. energy: -0.082 local terms energy: -132.152689 where: bonds (distance) C4'-P energy: -26.774 bonds (distance) P-C4' energy: -28.432 flat angles C4'-P-C4' energy: -25.975 flat angles P-C4'-P energy: -18.654 tors. eta vs tors. theta energy: -32.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -388.735243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.735243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.735243 (E_RNA) where: Base-Base interactions energy: -269.946 where: short stacking energy: -107.461 Base-Backbone interact. energy: -0.332 local terms energy: -118.456949 where: bonds (distance) C4'-P energy: -23.447 bonds (distance) P-C4' energy: -23.178 flat angles C4'-P-C4' energy: -22.631 flat angles P-C4'-P energy: -15.949 tors. eta vs tors. theta energy: -33.252 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: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -349.818726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.818726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.818726 (E_RNA) where: Base-Base interactions energy: -228.928 where: short stacking energy: -102.792 Base-Backbone interact. energy: -0.316 local terms energy: -120.575217 where: bonds (distance) C4'-P energy: -21.780 bonds (distance) P-C4' energy: -20.937 flat angles C4'-P-C4' energy: -28.579 flat angles P-C4'-P energy: -16.365 tors. eta vs tors. theta energy: -32.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -309.130815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.130815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.130815 (E_RNA) where: Base-Base interactions energy: -195.485 where: short stacking energy: -90.226 Base-Backbone interact. energy: -0.959 local terms energy: -112.686218 where: bonds (distance) C4'-P energy: -18.237 bonds (distance) P-C4' energy: -27.651 flat angles C4'-P-C4' energy: -24.597 flat angles P-C4'-P energy: -18.697 tors. eta vs tors. theta energy: -23.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -248.353018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.353018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.353018 (E_RNA) where: Base-Base interactions energy: -147.869 where: short stacking energy: -70.425 Base-Backbone interact. energy: -0.103 local terms energy: -100.381053 where: bonds (distance) C4'-P energy: -21.138 bonds (distance) P-C4' energy: -25.966 flat angles C4'-P-C4' energy: -24.422 flat angles P-C4'-P energy: -10.817 tors. eta vs tors. theta energy: -18.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -227.978273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.978273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.978273 (E_RNA) where: Base-Base interactions energy: -138.563 where: short stacking energy: -64.969 Base-Backbone interact. energy: -0.401 local terms energy: -89.014215 where: bonds (distance) C4'-P energy: -18.427 bonds (distance) P-C4' energy: -22.660 flat angles C4'-P-C4' energy: -23.091 flat angles P-C4'-P energy: -14.127 tors. eta vs tors. theta energy: -10.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -189.249684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.249684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.249684 (E_RNA) where: Base-Base interactions energy: -106.593 where: short stacking energy: -60.683 Base-Backbone interact. energy: -1.071 local terms energy: -81.586076 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -24.754 flat angles C4'-P-C4' energy: -20.192 flat angles P-C4'-P energy: -15.084 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -183.571867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.571867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.571867 (E_RNA) where: Base-Base interactions energy: -97.568 where: short stacking energy: -48.995 Base-Backbone interact. energy: -0.111 local terms energy: -85.892935 where: bonds (distance) C4'-P energy: -19.839 bonds (distance) P-C4' energy: -26.623 flat angles C4'-P-C4' energy: -21.901 flat angles P-C4'-P energy: -13.200 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: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -383.406306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.406306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.406306 (E_RNA) where: Base-Base interactions energy: -267.624 where: short stacking energy: -108.333 Base-Backbone interact. energy: -0.124 local terms energy: -115.658364 where: bonds (distance) C4'-P energy: -26.385 bonds (distance) P-C4' energy: -22.542 flat angles C4'-P-C4' energy: -20.351 flat angles P-C4'-P energy: -15.620 tors. eta vs tors. theta energy: -30.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -385.862513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.862513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.862513 (E_RNA) where: Base-Base interactions energy: -272.724 where: short stacking energy: -114.851 Base-Backbone interact. energy: -0.403 local terms energy: -112.734623 where: bonds (distance) C4'-P energy: -17.326 bonds (distance) P-C4' energy: -24.724 flat angles C4'-P-C4' energy: -28.004 flat angles P-C4'-P energy: -14.288 tors. eta vs tors. theta energy: -28.393 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: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -361.039814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.039814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.039814 (E_RNA) where: Base-Base interactions energy: -232.951 where: short stacking energy: -121.215 Base-Backbone interact. energy: -0.327 local terms energy: -127.761301 where: bonds (distance) C4'-P energy: -24.014 bonds (distance) P-C4' energy: -20.015 flat angles C4'-P-C4' energy: -26.611 flat angles P-C4'-P energy: -17.347 tors. eta vs tors. theta energy: -39.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -373.513791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.513791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.513791 (E_RNA) where: Base-Base interactions energy: -250.644 where: short stacking energy: -105.708 Base-Backbone interact. energy: -0.077 local terms energy: -122.792172 where: bonds (distance) C4'-P energy: -22.803 bonds (distance) P-C4' energy: -25.230 flat angles C4'-P-C4' energy: -26.146 flat angles P-C4'-P energy: -16.119 tors. eta vs tors. theta energy: -32.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -349.625495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.625495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.625495 (E_RNA) where: Base-Base interactions energy: -230.333 where: short stacking energy: -100.407 Base-Backbone interact. energy: -0.659 local terms energy: -118.633324 where: bonds (distance) C4'-P energy: -22.391 bonds (distance) P-C4' energy: -22.588 flat angles C4'-P-C4' energy: -25.895 flat angles P-C4'-P energy: -17.632 tors. eta vs tors. theta energy: -30.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -248.694340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.694340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.694340 (E_RNA) where: Base-Base interactions energy: -157.289 where: short stacking energy: -74.474 Base-Backbone interact. energy: -1.889 local terms energy: -89.516303 where: bonds (distance) C4'-P energy: -23.358 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -28.034 flat angles P-C4'-P energy: -12.651 tors. eta vs tors. theta energy: -11.712 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: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -299.887660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.887660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.887660 (E_RNA) where: Base-Base interactions energy: -193.049 where: short stacking energy: -88.651 Base-Backbone interact. energy: -0.343 local terms energy: -106.495160 where: bonds (distance) C4'-P energy: -18.155 bonds (distance) P-C4' energy: -20.054 flat angles C4'-P-C4' energy: -23.497 flat angles P-C4'-P energy: -19.250 tors. eta vs tors. theta energy: -25.538 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: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -236.497344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.497344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.497344 (E_RNA) where: Base-Base interactions energy: -151.270 where: short stacking energy: -72.739 Base-Backbone interact. energy: -0.796 local terms energy: -84.430927 where: bonds (distance) C4'-P energy: -21.885 bonds (distance) P-C4' energy: -24.797 flat angles C4'-P-C4' energy: -17.375 flat angles P-C4'-P energy: -12.768 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -155.168693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.168693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.168693 (E_RNA) where: Base-Base interactions energy: -70.677 where: short stacking energy: -37.634 Base-Backbone interact. energy: -0.386 local terms energy: -84.105172 where: bonds (distance) C4'-P energy: -20.142 bonds (distance) P-C4' energy: -28.150 flat angles C4'-P-C4' energy: -25.353 flat angles P-C4'-P energy: -11.344 tors. eta vs tors. theta energy: 0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -179.914886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.914886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.914886 (E_RNA) where: Base-Base interactions energy: -116.447 where: short stacking energy: -52.314 Base-Backbone interact. energy: -0.667 local terms energy: -62.799992 where: bonds (distance) C4'-P energy: -20.691 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -19.059 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -410.922989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.922989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.922989 (E_RNA) where: Base-Base interactions energy: -304.913 where: short stacking energy: -113.831 Base-Backbone interact. energy: -0.177 local terms energy: -105.832307 where: bonds (distance) C4'-P energy: -20.717 bonds (distance) P-C4' energy: -18.502 flat angles C4'-P-C4' energy: -28.971 flat angles P-C4'-P energy: -11.555 tors. eta vs tors. theta energy: -26.087 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: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -370.680288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.680288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.680288 (E_RNA) where: Base-Base interactions energy: -257.064 where: short stacking energy: -102.078 Base-Backbone interact. energy: -0.005 local terms energy: -113.611971 where: bonds (distance) C4'-P energy: -20.734 bonds (distance) P-C4' energy: -24.189 flat angles C4'-P-C4' energy: -23.894 flat angles P-C4'-P energy: -12.489 tors. eta vs tors. theta energy: -32.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -373.352376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.352376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.352376 (E_RNA) where: Base-Base interactions energy: -254.759 where: short stacking energy: -130.769 Base-Backbone interact. energy: -0.022 local terms energy: -118.571884 where: bonds (distance) C4'-P energy: -21.500 bonds (distance) P-C4' energy: -23.138 flat angles C4'-P-C4' energy: -20.907 flat angles P-C4'-P energy: -14.708 tors. eta vs tors. theta energy: -38.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -382.648529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.648529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.648529 (E_RNA) where: Base-Base interactions energy: -265.063 where: short stacking energy: -119.369 Base-Backbone interact. energy: 0.781 local terms energy: -118.366802 where: bonds (distance) C4'-P energy: -22.249 bonds (distance) P-C4' energy: -17.567 flat angles C4'-P-C4' energy: -24.739 flat angles P-C4'-P energy: -18.953 tors. eta vs tors. theta energy: -34.860 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: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -335.236020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.236020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.236020 (E_RNA) where: Base-Base interactions energy: -221.112 where: short stacking energy: -96.662 Base-Backbone interact. energy: -0.148 local terms energy: -113.975998 where: bonds (distance) C4'-P energy: -24.943 bonds (distance) P-C4' energy: -19.936 flat angles C4'-P-C4' energy: -26.820 flat angles P-C4'-P energy: -15.913 tors. eta vs tors. theta energy: -26.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -262.312061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.312061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.312061 (E_RNA) where: Base-Base interactions energy: -158.396 where: short stacking energy: -90.214 Base-Backbone interact. energy: -0.410 local terms energy: -103.505703 where: bonds (distance) C4'-P energy: -21.370 bonds (distance) P-C4' energy: -23.593 flat angles C4'-P-C4' energy: -22.389 flat angles P-C4'-P energy: -15.226 tors. eta vs tors. theta energy: -20.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -284.856175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.856175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.856175 (E_RNA) where: Base-Base interactions energy: -181.510 where: short stacking energy: -91.891 Base-Backbone interact. energy: -0.673 local terms energy: -102.672528 where: bonds (distance) C4'-P energy: -22.790 bonds (distance) P-C4' energy: -25.621 flat angles C4'-P-C4' energy: -24.263 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -20.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -244.634459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.634459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.634459 (E_RNA) where: Base-Base interactions energy: -163.285 where: short stacking energy: -62.807 Base-Backbone interact. energy: 1.505 local terms energy: -82.854536 where: bonds (distance) C4'-P energy: -20.426 bonds (distance) P-C4' energy: -26.729 flat angles C4'-P-C4' energy: -18.205 flat angles P-C4'-P energy: -11.105 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: 9, replica: 8 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -197.764756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.764756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.764756 (E_RNA) where: Base-Base interactions energy: -114.182 where: short stacking energy: -59.303 Base-Backbone interact. energy: -1.882 local terms energy: -81.700731 where: bonds (distance) C4'-P energy: -22.243 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -18.488 flat angles P-C4'-P energy: -17.814 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: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -143.288873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.288873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.288873 (E_RNA) where: Base-Base interactions energy: -72.526 where: short stacking energy: -57.550 Base-Backbone interact. energy: -0.252 local terms energy: -70.511279 where: bonds (distance) C4'-P energy: -17.419 bonds (distance) P-C4' energy: -19.836 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -11.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -408.777634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.777634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.777634 (E_RNA) where: Base-Base interactions energy: -288.060 where: short stacking energy: -117.826 Base-Backbone interact. energy: -0.325 local terms energy: -120.392679 where: bonds (distance) C4'-P energy: -26.021 bonds (distance) P-C4' energy: -20.038 flat angles C4'-P-C4' energy: -29.207 flat angles P-C4'-P energy: -15.621 tors. eta vs tors. theta energy: -29.507 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: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -377.357789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.357789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.357789 (E_RNA) where: Base-Base interactions energy: -245.449 where: short stacking energy: -124.553 Base-Backbone interact. energy: -0.070 local terms energy: -131.838842 where: bonds (distance) C4'-P energy: -21.495 bonds (distance) P-C4' energy: -25.608 flat angles C4'-P-C4' energy: -28.033 flat angles P-C4'-P energy: -18.945 tors. eta vs tors. theta energy: -37.759 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -362.225574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.225574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.225574 (E_RNA) where: Base-Base interactions energy: -252.473 where: short stacking energy: -106.867 Base-Backbone interact. energy: -0.046 local terms energy: -109.706695 where: bonds (distance) C4'-P energy: -20.746 bonds (distance) P-C4' energy: -22.732 flat angles C4'-P-C4' energy: -25.456 flat angles P-C4'-P energy: -13.535 tors. eta vs tors. theta energy: -27.238 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: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -367.363478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.363478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.363478 (E_RNA) where: Base-Base interactions energy: -250.418 where: short stacking energy: -109.650 Base-Backbone interact. energy: -0.805 local terms energy: -116.139788 where: bonds (distance) C4'-P energy: -19.987 bonds (distance) P-C4' energy: -23.777 flat angles C4'-P-C4' energy: -27.955 flat angles P-C4'-P energy: -13.981 tors. eta vs tors. theta energy: -30.440 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: 141 Temperature: 1.100000 Total energy: -341.575867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.575867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.575867 (E_RNA) where: Base-Base interactions energy: -227.061 where: short stacking energy: -96.999 Base-Backbone interact. energy: -1.766 local terms energy: -112.749124 where: bonds (distance) C4'-P energy: -18.540 bonds (distance) P-C4' energy: -24.652 flat angles C4'-P-C4' energy: -24.471 flat angles P-C4'-P energy: -16.491 tors. eta vs tors. theta energy: -28.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -305.180691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.180691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.180691 (E_RNA) where: Base-Base interactions energy: -201.242 where: short stacking energy: -88.374 Base-Backbone interact. energy: -0.656 local terms energy: -103.282779 where: bonds (distance) C4'-P energy: -24.169 bonds (distance) P-C4' energy: -19.397 flat angles C4'-P-C4' energy: -19.548 flat angles P-C4'-P energy: -16.322 tors. eta vs tors. theta energy: -23.847 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: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -261.191307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.191307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.191307 (E_RNA) where: Base-Base interactions energy: -160.763 where: short stacking energy: -82.297 Base-Backbone interact. energy: 1.078 local terms energy: -101.505474 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -24.265 flat angles C4'-P-C4' energy: -20.543 flat angles P-C4'-P energy: -17.431 tors. eta vs tors. theta energy: -16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -237.088188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.088188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.088188 (E_RNA) where: Base-Base interactions energy: -153.100 where: short stacking energy: -64.354 Base-Backbone interact. energy: 0.302 local terms energy: -84.289467 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -26.004 flat angles C4'-P-C4' energy: -17.021 flat angles P-C4'-P energy: -14.943 tors. eta vs tors. theta energy: -14.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -200.770235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.770235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.770235 (E_RNA) where: Base-Base interactions energy: -124.894 where: short stacking energy: -53.251 Base-Backbone interact. energy: -0.359 local terms energy: -75.516551 where: bonds (distance) C4'-P energy: -18.376 bonds (distance) P-C4' energy: -16.358 flat angles C4'-P-C4' energy: -22.888 flat angles P-C4'-P energy: -15.513 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -118.035250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.035250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.035250 (E_RNA) where: Base-Base interactions energy: -59.539 where: short stacking energy: -39.133 Base-Backbone interact. energy: 0.243 local terms energy: -58.739724 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -21.017 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -9.423 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: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -411.110272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.110272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.110272 (E_RNA) where: Base-Base interactions energy: -290.049 where: short stacking energy: -115.256 Base-Backbone interact. energy: -0.627 local terms energy: -120.434185 where: bonds (distance) C4'-P energy: -24.488 bonds (distance) P-C4' energy: -23.665 flat angles C4'-P-C4' energy: -26.723 flat angles P-C4'-P energy: -13.542 tors. eta vs tors. theta energy: -32.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -381.987876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.987876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.987876 (E_RNA) where: Base-Base interactions energy: -249.138 where: short stacking energy: -134.098 Base-Backbone interact. energy: -1.217 local terms energy: -131.632464 where: bonds (distance) C4'-P energy: -25.189 bonds (distance) P-C4' energy: -25.208 flat angles C4'-P-C4' energy: -25.041 flat angles P-C4'-P energy: -17.466 tors. eta vs tors. theta energy: -38.728 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: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -374.174517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.174517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.174517 (E_RNA) where: Base-Base interactions energy: -252.416 where: short stacking energy: -104.848 Base-Backbone interact. energy: -1.400 local terms energy: -120.358221 where: bonds (distance) C4'-P energy: -21.080 bonds (distance) P-C4' energy: -26.193 flat angles C4'-P-C4' energy: -26.319 flat angles P-C4'-P energy: -18.727 tors. eta vs tors. theta energy: -28.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -366.887067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.887067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.887067 (E_RNA) where: Base-Base interactions energy: -251.049 where: short stacking energy: -110.612 Base-Backbone interact. energy: -0.727 local terms energy: -115.111118 where: bonds (distance) C4'-P energy: -20.175 bonds (distance) P-C4' energy: -23.002 flat angles C4'-P-C4' energy: -26.285 flat angles P-C4'-P energy: -14.027 tors. eta vs tors. theta energy: -31.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -333.501536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.501536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.501536 (E_RNA) where: Base-Base interactions energy: -229.128 where: short stacking energy: -96.004 Base-Backbone interact. energy: 1.884 local terms energy: -106.258173 where: bonds (distance) C4'-P energy: -20.063 bonds (distance) P-C4' energy: -21.597 flat angles C4'-P-C4' energy: -22.215 flat angles P-C4'-P energy: -17.096 tors. eta vs tors. theta energy: -25.288 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: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -312.482829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.482829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.482829 (E_RNA) where: Base-Base interactions energy: -208.935 where: short stacking energy: -103.168 Base-Backbone interact. energy: 1.433 local terms energy: -104.980038 where: bonds (distance) C4'-P energy: -23.275 bonds (distance) P-C4' energy: -24.545 flat angles C4'-P-C4' energy: -22.565 flat angles P-C4'-P energy: -8.084 tors. eta vs tors. theta energy: -26.511 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: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -244.941046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.941046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.941046 (E_RNA) where: Base-Base interactions energy: -163.973 where: short stacking energy: -70.123 Base-Backbone interact. energy: -0.682 local terms energy: -80.286109 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -25.922 flat angles C4'-P-C4' energy: -19.191 flat angles P-C4'-P energy: -15.204 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -236.250568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.250568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.250568 (E_RNA) where: Base-Base interactions energy: -156.330 where: short stacking energy: -63.191 Base-Backbone interact. energy: -0.286 local terms energy: -79.634158 where: bonds (distance) C4'-P energy: -17.133 bonds (distance) P-C4' energy: -23.137 flat angles C4'-P-C4' energy: -25.191 flat angles P-C4'-P energy: -12.348 tors. eta vs tors. theta energy: -1.826 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: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -227.601914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.601914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.601914 (E_RNA) where: Base-Base interactions energy: -153.106 where: short stacking energy: -70.578 Base-Backbone interact. energy: -0.170 local terms energy: -74.325511 where: bonds (distance) C4'-P energy: -13.337 bonds (distance) P-C4' energy: -21.940 flat angles C4'-P-C4' energy: -17.983 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -9.793 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: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -131.481903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.481903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.481903 (E_RNA) where: Base-Base interactions energy: -48.109 where: short stacking energy: -40.042 Base-Backbone interact. energy: -1.143 local terms energy: -82.230010 where: bonds (distance) C4'-P energy: -21.065 bonds (distance) P-C4' energy: -23.666 flat angles C4'-P-C4' energy: -26.483 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -407.589856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.589856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.589856 (E_RNA) where: Base-Base interactions energy: -273.426 where: short stacking energy: -108.380 Base-Backbone interact. energy: -0.113 local terms energy: -134.051654 where: bonds (distance) C4'-P energy: -22.885 bonds (distance) P-C4' energy: -26.649 flat angles C4'-P-C4' energy: -28.714 flat angles P-C4'-P energy: -19.951 tors. eta vs tors. theta energy: -35.852 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: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -381.986934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.986934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.986934 (E_RNA) where: Base-Base interactions energy: -253.371 where: short stacking energy: -127.119 Base-Backbone interact. energy: -0.220 local terms energy: -128.396162 where: bonds (distance) C4'-P energy: -18.755 bonds (distance) P-C4' energy: -26.246 flat angles C4'-P-C4' energy: -26.236 flat angles P-C4'-P energy: -18.035 tors. eta vs tors. theta energy: -39.124 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: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -368.234307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.234307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.234307 (E_RNA) where: Base-Base interactions energy: -252.824 where: short stacking energy: -119.645 Base-Backbone interact. energy: -1.380 local terms energy: -114.030025 where: bonds (distance) C4'-P energy: -15.000 bonds (distance) P-C4' energy: -21.422 flat angles C4'-P-C4' energy: -25.410 flat angles P-C4'-P energy: -19.736 tors. eta vs tors. theta energy: -32.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -363.326309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.326309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.326309 (E_RNA) where: Base-Base interactions energy: -240.858 where: short stacking energy: -102.909 Base-Backbone interact. energy: -0.438 local terms energy: -122.030919 where: bonds (distance) C4'-P energy: -25.909 bonds (distance) P-C4' energy: -24.121 flat angles C4'-P-C4' energy: -25.548 flat angles P-C4'-P energy: -14.050 tors. eta vs tors. theta energy: -32.403 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: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -364.370693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.370693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.370693 (E_RNA) where: Base-Base interactions energy: -263.674 where: short stacking energy: -116.950 Base-Backbone interact. energy: -0.158 local terms energy: -100.539399 where: bonds (distance) C4'-P energy: -20.461 bonds (distance) P-C4' energy: -15.912 flat angles C4'-P-C4' energy: -20.120 flat angles P-C4'-P energy: -14.469 tors. eta vs tors. theta energy: -29.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -254.285768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.285768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.285768 (E_RNA) where: Base-Base interactions energy: -163.765 where: short stacking energy: -74.882 Base-Backbone interact. energy: -0.293 local terms energy: -90.227148 where: bonds (distance) C4'-P energy: -23.051 bonds (distance) P-C4' energy: -21.514 flat angles C4'-P-C4' energy: -21.170 flat angles P-C4'-P energy: -15.187 tors. eta vs tors. theta energy: -9.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -320.264819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.264819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.264819 (E_RNA) where: Base-Base interactions energy: -210.015 where: short stacking energy: -108.126 Base-Backbone interact. energy: -0.958 local terms energy: -109.291305 where: bonds (distance) C4'-P energy: -20.796 bonds (distance) P-C4' energy: -23.408 flat angles C4'-P-C4' energy: -26.028 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -29.066 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: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -235.599704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.599704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.599704 (E_RNA) where: Base-Base interactions energy: -149.592 where: short stacking energy: -70.456 Base-Backbone interact. energy: 2.356 local terms energy: -88.363261 where: bonds (distance) C4'-P energy: -17.324 bonds (distance) P-C4' energy: -21.147 flat angles C4'-P-C4' energy: -18.766 flat angles P-C4'-P energy: -17.788 tors. eta vs tors. theta energy: -13.338 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: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -221.852187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.852187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.852187 (E_RNA) where: Base-Base interactions energy: -128.687 where: short stacking energy: -58.348 Base-Backbone interact. energy: -0.609 local terms energy: -92.556624 where: bonds (distance) C4'-P energy: -25.863 bonds (distance) P-C4' energy: -25.624 flat angles C4'-P-C4' energy: -18.830 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -13.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -125.737900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.737900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.737900 (E_RNA) where: Base-Base interactions energy: -52.902 where: short stacking energy: -55.358 Base-Backbone interact. energy: -0.466 local terms energy: -72.369910 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -17.008 flat angles C4'-P-C4' energy: -21.160 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: -8.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -403.809135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.809135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.809135 (E_RNA) where: Base-Base interactions energy: -289.928 where: short stacking energy: -114.777 Base-Backbone interact. energy: -0.233 local terms energy: -113.649039 where: bonds (distance) C4'-P energy: -19.961 bonds (distance) P-C4' energy: -22.071 flat angles C4'-P-C4' energy: -23.337 flat angles P-C4'-P energy: -13.718 tors. eta vs tors. theta energy: -34.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -369.675097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.675097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.675097 (E_RNA) where: Base-Base interactions energy: -233.987 where: short stacking energy: -114.617 Base-Backbone interact. energy: -0.745 local terms energy: -134.942225 where: bonds (distance) C4'-P energy: -25.093 bonds (distance) P-C4' energy: -28.188 flat angles C4'-P-C4' energy: -24.903 flat angles P-C4'-P energy: -19.345 tors. eta vs tors. theta energy: -37.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -378.106391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.106391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.106391 (E_RNA) where: Base-Base interactions energy: -259.715 where: short stacking energy: -108.781 Base-Backbone interact. energy: -0.089 local terms energy: -118.303051 where: bonds (distance) C4'-P energy: -25.112 bonds (distance) P-C4' energy: -22.263 flat angles C4'-P-C4' energy: -24.625 flat angles P-C4'-P energy: -17.893 tors. eta vs tors. theta energy: -28.410 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: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -346.636577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.636577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.636577 (E_RNA) where: Base-Base interactions energy: -228.400 where: short stacking energy: -99.702 Base-Backbone interact. energy: -0.559 local terms energy: -117.677817 where: bonds (distance) C4'-P energy: -24.041 bonds (distance) P-C4' energy: -21.479 flat angles C4'-P-C4' energy: -24.887 flat angles P-C4'-P energy: -16.613 tors. eta vs tors. theta energy: -30.658 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: 5, replica: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -346.265471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.265471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.265471 (E_RNA) where: Base-Base interactions energy: -227.898 where: short stacking energy: -92.133 Base-Backbone interact. energy: -1.471 local terms energy: -116.895829 where: bonds (distance) C4'-P energy: -22.658 bonds (distance) P-C4' energy: -27.148 flat angles C4'-P-C4' energy: -25.614 flat angles P-C4'-P energy: -14.570 tors. eta vs tors. theta energy: -26.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -274.312175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.312175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.312175 (E_RNA) where: Base-Base interactions energy: -174.504 where: short stacking energy: -88.629 Base-Backbone interact. energy: 0.236 local terms energy: -100.044240 where: bonds (distance) C4'-P energy: -25.126 bonds (distance) P-C4' energy: -21.596 flat angles C4'-P-C4' energy: -22.752 flat angles P-C4'-P energy: -14.858 tors. eta vs tors. theta energy: -15.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -298.805620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.805620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.805620 (E_RNA) where: Base-Base interactions energy: -187.492 where: short stacking energy: -90.412 Base-Backbone interact. energy: -0.177 local terms energy: -111.136734 where: bonds (distance) C4'-P energy: -25.822 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -24.598 flat angles P-C4'-P energy: -15.950 tors. eta vs tors. theta energy: -27.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -220.820779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.820779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.820779 (E_RNA) where: Base-Base interactions energy: -135.764 where: short stacking energy: -54.630 Base-Backbone interact. energy: -1.113 local terms energy: -83.943719 where: bonds (distance) C4'-P energy: -17.814 bonds (distance) P-C4' energy: -28.326 flat angles C4'-P-C4' energy: -19.846 flat angles P-C4'-P energy: -15.350 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -216.097458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.097458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.097458 (E_RNA) where: Base-Base interactions energy: -139.767 where: short stacking energy: -60.168 Base-Backbone interact. energy: -0.539 local terms energy: -75.792147 where: bonds (distance) C4'-P energy: -23.108 bonds (distance) P-C4' energy: -15.959 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -16.128 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: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -121.556315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.556315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.556315 (E_RNA) where: Base-Base interactions energy: -37.724 where: short stacking energy: -37.724 Base-Backbone interact. energy: -0.235 local terms energy: -83.597327 where: bonds (distance) C4'-P energy: -22.555 bonds (distance) P-C4' energy: -24.874 flat angles C4'-P-C4' energy: -22.392 flat angles P-C4'-P energy: -11.410 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -411.226333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.226333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.226333 (E_RNA) where: Base-Base interactions energy: -283.381 where: short stacking energy: -117.796 Base-Backbone interact. energy: 0.233 local terms energy: -128.078253 where: bonds (distance) C4'-P energy: -23.752 bonds (distance) P-C4' energy: -18.456 flat angles C4'-P-C4' energy: -29.260 flat angles P-C4'-P energy: -19.279 tors. eta vs tors. theta energy: -37.331 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: 2, replica: 2 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -396.032972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.032972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.032972 (E_RNA) where: Base-Base interactions energy: -277.346 where: short stacking energy: -110.522 Base-Backbone interact. energy: -0.322 local terms energy: -118.365010 where: bonds (distance) C4'-P energy: -27.104 bonds (distance) P-C4' energy: -18.619 flat angles C4'-P-C4' energy: -25.927 flat angles P-C4'-P energy: -14.470 tors. eta vs tors. theta energy: -32.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -370.137793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.137793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.137793 (E_RNA) where: Base-Base interactions energy: -244.217 where: short stacking energy: -120.883 Base-Backbone interact. energy: -0.231 local terms energy: -125.689924 where: bonds (distance) C4'-P energy: -20.874 bonds (distance) P-C4' energy: -23.444 flat angles C4'-P-C4' energy: -26.203 flat angles P-C4'-P energy: -17.370 tors. eta vs tors. theta energy: -37.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -348.253363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.253363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.253363 (E_RNA) where: Base-Base interactions energy: -238.182 where: short stacking energy: -104.313 Base-Backbone interact. energy: -0.427 local terms energy: -109.643773 where: bonds (distance) C4'-P energy: -23.184 bonds (distance) P-C4' energy: -22.881 flat angles C4'-P-C4' energy: -20.310 flat angles P-C4'-P energy: -15.851 tors. eta vs tors. theta energy: -27.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -341.991956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.991956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.991956 (E_RNA) where: Base-Base interactions energy: -222.867 where: short stacking energy: -96.374 Base-Backbone interact. energy: -1.062 local terms energy: -118.063447 where: bonds (distance) C4'-P energy: -24.650 bonds (distance) P-C4' energy: -25.290 flat angles C4'-P-C4' energy: -24.284 flat angles P-C4'-P energy: -18.466 tors. eta vs tors. theta energy: -25.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -319.039208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.039208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.039208 (E_RNA) where: Base-Base interactions energy: -205.903 where: short stacking energy: -102.121 Base-Backbone interact. energy: -0.019 local terms energy: -113.117230 where: bonds (distance) C4'-P energy: -21.612 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -26.972 flat angles P-C4'-P energy: -16.114 tors. eta vs tors. theta energy: -33.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -238.782781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.782781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.782781 (E_RNA) where: Base-Base interactions energy: -146.142 where: short stacking energy: -62.081 Base-Backbone interact. energy: -1.436 local terms energy: -91.205155 where: bonds (distance) C4'-P energy: -18.997 bonds (distance) P-C4' energy: -22.075 flat angles C4'-P-C4' energy: -21.510 flat angles P-C4'-P energy: -15.284 tors. eta vs tors. theta energy: -13.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -237.065429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.065429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.065429 (E_RNA) where: Base-Base interactions energy: -143.329 where: short stacking energy: -57.546 Base-Backbone interact. energy: -0.660 local terms energy: -93.076191 where: bonds (distance) C4'-P energy: -20.574 bonds (distance) P-C4' energy: -24.748 flat angles C4'-P-C4' energy: -22.919 flat angles P-C4'-P energy: -15.145 tors. eta vs tors. theta energy: -9.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -214.606903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.606903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.606903 (E_RNA) where: Base-Base interactions energy: -130.851 where: short stacking energy: -60.908 Base-Backbone interact. energy: -0.690 local terms energy: -83.065438 where: bonds (distance) C4'-P energy: -23.126 bonds (distance) P-C4' energy: -20.498 flat angles C4'-P-C4' energy: -19.484 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -8.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -117.482399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.482399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.482399 (E_RNA) where: Base-Base interactions energy: -57.111 where: short stacking energy: -39.596 Base-Backbone interact. energy: -0.348 local terms energy: -60.024106 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -20.953 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -1.775 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: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -396.561088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.561088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.561088 (E_RNA) where: Base-Base interactions energy: -268.423 where: short stacking energy: -112.705 Base-Backbone interact. energy: 0.806 local terms energy: -128.944355 where: bonds (distance) C4'-P energy: -26.695 bonds (distance) P-C4' energy: -23.812 flat angles C4'-P-C4' energy: -27.105 flat angles P-C4'-P energy: -20.359 tors. eta vs tors. theta energy: -30.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -398.220530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.220530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.220530 (E_RNA) where: Base-Base interactions energy: -278.414 where: short stacking energy: -117.734 Base-Backbone interact. energy: -0.007 local terms energy: -119.798856 where: bonds (distance) C4'-P energy: -20.522 bonds (distance) P-C4' energy: -23.702 flat angles C4'-P-C4' energy: -26.494 flat angles P-C4'-P energy: -14.210 tors. eta vs tors. theta energy: -34.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -359.198732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.198732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.198732 (E_RNA) where: Base-Base interactions energy: -233.633 where: short stacking energy: -107.548 Base-Backbone interact. energy: 0.049 local terms energy: -125.615421 where: bonds (distance) C4'-P energy: -27.083 bonds (distance) P-C4' energy: -25.291 flat angles C4'-P-C4' energy: -25.323 flat angles P-C4'-P energy: -18.499 tors. eta vs tors. theta energy: -29.420 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: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -369.018971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.018971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.018971 (E_RNA) where: Base-Base interactions energy: -245.975 where: short stacking energy: -122.347 Base-Backbone interact. energy: -0.391 local terms energy: -122.653430 where: bonds (distance) C4'-P energy: -23.292 bonds (distance) P-C4' energy: -25.320 flat angles C4'-P-C4' energy: -25.469 flat angles P-C4'-P energy: -16.332 tors. eta vs tors. theta energy: -32.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -341.724125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.724125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.724125 (E_RNA) where: Base-Base interactions energy: -232.290 where: short stacking energy: -98.421 Base-Backbone interact. energy: -0.440 local terms energy: -108.994415 where: bonds (distance) C4'-P energy: -21.864 bonds (distance) P-C4' energy: -23.871 flat angles C4'-P-C4' energy: -25.970 flat angles P-C4'-P energy: -11.855 tors. eta vs tors. theta energy: -25.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -300.485118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.485118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.485118 (E_RNA) where: Base-Base interactions energy: -202.429 where: short stacking energy: -101.075 Base-Backbone interact. energy: -0.018 local terms energy: -98.038611 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -23.806 flat angles C4'-P-C4' energy: -22.956 flat angles P-C4'-P energy: -16.997 tors. eta vs tors. theta energy: -20.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -249.817980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.817980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.817980 (E_RNA) where: Base-Base interactions energy: -157.084 where: short stacking energy: -67.141 Base-Backbone interact. energy: 1.172 local terms energy: -93.906121 where: bonds (distance) C4'-P energy: -21.309 bonds (distance) P-C4' energy: -24.906 flat angles C4'-P-C4' energy: -16.535 flat angles P-C4'-P energy: -16.657 tors. eta vs tors. theta energy: -14.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -226.980372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.980372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.980372 (E_RNA) where: Base-Base interactions energy: -140.442 where: short stacking energy: -67.578 Base-Backbone interact. energy: -0.263 local terms energy: -86.275191 where: bonds (distance) C4'-P energy: -20.936 bonds (distance) P-C4' energy: -20.796 flat angles C4'-P-C4' energy: -20.326 flat angles P-C4'-P energy: -12.889 tors. eta vs tors. theta energy: -11.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -240.766292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.766292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.766292 (E_RNA) where: Base-Base interactions energy: -151.355 where: short stacking energy: -74.781 Base-Backbone interact. energy: 1.335 local terms energy: -90.746227 where: bonds (distance) C4'-P energy: -21.668 bonds (distance) P-C4' energy: -20.388 flat angles C4'-P-C4' energy: -17.139 flat angles P-C4'-P energy: -17.427 tors. eta vs tors. theta energy: -14.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -109.342577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.342577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.342577 (E_RNA) where: Base-Base interactions energy: -45.025 where: short stacking energy: -36.978 Base-Backbone interact. energy: -0.467 local terms energy: -63.850460 where: bonds (distance) C4'-P energy: -18.458 bonds (distance) P-C4' energy: -21.926 flat angles C4'-P-C4' energy: -17.546 flat angles P-C4'-P energy: -13.420 tors. eta vs tors. theta energy: 7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -392.745139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.745139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.745139 (E_RNA) where: Base-Base interactions energy: -270.646 where: short stacking energy: -118.745 Base-Backbone interact. energy: -1.172 local terms energy: -120.926903 where: bonds (distance) C4'-P energy: -26.725 bonds (distance) P-C4' energy: -19.195 flat angles C4'-P-C4' energy: -26.014 flat angles P-C4'-P energy: -16.686 tors. eta vs tors. theta energy: -32.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -387.908295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.908295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.908295 (E_RNA) where: Base-Base interactions energy: -258.727 where: short stacking energy: -117.685 Base-Backbone interact. energy: -0.397 local terms energy: -128.783909 where: bonds (distance) C4'-P energy: -24.717 bonds (distance) P-C4' energy: -24.700 flat angles C4'-P-C4' energy: -26.649 flat angles P-C4'-P energy: -17.288 tors. eta vs tors. theta energy: -35.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -367.790745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.790745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.790745 (E_RNA) where: Base-Base interactions energy: -241.883 where: short stacking energy: -116.159 Base-Backbone interact. energy: -0.066 local terms energy: -125.842169 where: bonds (distance) C4'-P energy: -26.733 bonds (distance) P-C4' energy: -24.908 flat angles C4'-P-C4' energy: -27.072 flat angles P-C4'-P energy: -15.413 tors. eta vs tors. theta energy: -31.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -358.941593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.941593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.941593 (E_RNA) where: Base-Base interactions energy: -235.809 where: short stacking energy: -114.004 Base-Backbone interact. energy: -0.181 local terms energy: -122.951732 where: bonds (distance) C4'-P energy: -20.451 bonds (distance) P-C4' energy: -23.568 flat angles C4'-P-C4' energy: -25.166 flat angles P-C4'-P energy: -21.411 tors. eta vs tors. theta energy: -32.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -336.038749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.038749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.038749 (E_RNA) where: Base-Base interactions energy: -230.232 where: short stacking energy: -89.460 Base-Backbone interact. energy: -0.491 local terms energy: -105.316042 where: bonds (distance) C4'-P energy: -18.265 bonds (distance) P-C4' energy: -25.669 flat angles C4'-P-C4' energy: -22.171 flat angles P-C4'-P energy: -15.899 tors. eta vs tors. theta energy: -23.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -313.875927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.875927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.875927 (E_RNA) where: Base-Base interactions energy: -200.989 where: short stacking energy: -99.203 Base-Backbone interact. energy: -0.958 local terms energy: -111.928397 where: bonds (distance) C4'-P energy: -19.667 bonds (distance) P-C4' energy: -25.174 flat angles C4'-P-C4' energy: -22.957 flat angles P-C4'-P energy: -17.310 tors. eta vs tors. theta energy: -26.821 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: 147 Temperature: 1.200000 Total energy: -236.607374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.607374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.607374 (E_RNA) where: Base-Base interactions energy: -139.616 where: short stacking energy: -64.797 Base-Backbone interact. energy: 0.266 local terms energy: -97.257704 where: bonds (distance) C4'-P energy: -22.815 bonds (distance) P-C4' energy: -24.731 flat angles C4'-P-C4' energy: -25.233 flat angles P-C4'-P energy: -13.772 tors. eta vs tors. theta energy: -10.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -258.422596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.422596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.422596 (E_RNA) where: Base-Base interactions energy: -165.789 where: short stacking energy: -93.748 Base-Backbone interact. energy: -0.225 local terms energy: -92.408638 where: bonds (distance) C4'-P energy: -14.490 bonds (distance) P-C4' energy: -23.946 flat angles C4'-P-C4' energy: -28.108 flat angles P-C4'-P energy: -10.645 tors. eta vs tors. theta energy: -15.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -221.516135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.516135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.516135 (E_RNA) where: Base-Base interactions energy: -135.726 where: short stacking energy: -59.893 Base-Backbone interact. energy: 0.360 local terms energy: -86.150088 where: bonds (distance) C4'-P energy: -17.869 bonds (distance) P-C4' energy: -20.580 flat angles C4'-P-C4' energy: -21.328 flat angles P-C4'-P energy: -12.825 tors. eta vs tors. theta energy: -13.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -116.869216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.869216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.869216 (E_RNA) where: Base-Base interactions energy: -33.742 where: short stacking energy: -33.691 Base-Backbone interact. energy: -0.288 local terms energy: -82.840177 where: bonds (distance) C4'-P energy: -25.014 bonds (distance) P-C4' energy: -21.440 flat angles C4'-P-C4' energy: -19.184 flat angles P-C4'-P energy: -9.685 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: 1, replica: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -389.390428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.390428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.390428 (E_RNA) where: Base-Base interactions energy: -265.766 where: short stacking energy: -126.931 Base-Backbone interact. energy: 0.617 local terms energy: -124.240799 where: bonds (distance) C4'-P energy: -27.672 bonds (distance) P-C4' energy: -23.266 flat angles C4'-P-C4' energy: -22.388 flat angles P-C4'-P energy: -20.127 tors. eta vs tors. theta energy: -30.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -398.317749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.317749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.317749 (E_RNA) where: Base-Base interactions energy: -269.940 where: short stacking energy: -116.614 Base-Backbone interact. energy: -0.941 local terms energy: -127.436860 where: bonds (distance) C4'-P energy: -24.675 bonds (distance) P-C4' energy: -22.227 flat angles C4'-P-C4' energy: -28.379 flat angles P-C4'-P energy: -19.319 tors. eta vs tors. theta energy: -32.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -370.255508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.255508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.255508 (E_RNA) where: Base-Base interactions energy: -243.066 where: short stacking energy: -113.367 Base-Backbone interact. energy: -0.033 local terms energy: -127.156757 where: bonds (distance) C4'-P energy: -26.605 bonds (distance) P-C4' energy: -25.367 flat angles C4'-P-C4' energy: -21.806 flat angles P-C4'-P energy: -18.515 tors. eta vs tors. theta energy: -34.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -350.681884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.681884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.681884 (E_RNA) where: Base-Base interactions energy: -237.089 where: short stacking energy: -94.022 Base-Backbone interact. energy: -0.152 local terms energy: -113.441451 where: bonds (distance) C4'-P energy: -18.810 bonds (distance) P-C4' energy: -25.042 flat angles C4'-P-C4' energy: -26.158 flat angles P-C4'-P energy: -17.849 tors. eta vs tors. theta energy: -25.583 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: 5, replica: 9 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -339.077272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.077272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.077272 (E_RNA) where: Base-Base interactions energy: -230.360 where: short stacking energy: -101.413 Base-Backbone interact. energy: -1.764 local terms energy: -106.953064 where: bonds (distance) C4'-P energy: -24.741 bonds (distance) P-C4' energy: -21.863 flat angles C4'-P-C4' energy: -23.374 flat angles P-C4'-P energy: -12.106 tors. eta vs tors. theta energy: -24.869 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: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -319.442221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.442221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.442221 (E_RNA) where: Base-Base interactions energy: -209.026 where: short stacking energy: -99.387 Base-Backbone interact. energy: -0.061 local terms energy: -110.355942 where: bonds (distance) C4'-P energy: -22.853 bonds (distance) P-C4' energy: -22.475 flat angles C4'-P-C4' energy: -22.399 flat angles P-C4'-P energy: -18.050 tors. eta vs tors. theta energy: -24.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -258.193555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.193555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.193555 (E_RNA) where: Base-Base interactions energy: -159.215 where: short stacking energy: -80.061 Base-Backbone interact. energy: -0.504 local terms energy: -98.474363 where: bonds (distance) C4'-P energy: -19.645 bonds (distance) P-C4' energy: -21.147 flat angles C4'-P-C4' energy: -24.302 flat angles P-C4'-P energy: -14.108 tors. eta vs tors. theta energy: -19.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -231.929506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.929506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.929506 (E_RNA) where: Base-Base interactions energy: -160.485 where: short stacking energy: -65.486 Base-Backbone interact. energy: -1.553 local terms energy: -69.891836 where: bonds (distance) C4'-P energy: -18.904 bonds (distance) P-C4' energy: -21.513 flat angles C4'-P-C4' energy: -10.103 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -9.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -230.603474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.603474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.603474 (E_RNA) where: Base-Base interactions energy: -142.788 where: short stacking energy: -69.480 Base-Backbone interact. energy: -1.258 local terms energy: -86.558250 where: bonds (distance) C4'-P energy: -19.785 bonds (distance) P-C4' energy: -22.324 flat angles C4'-P-C4' energy: -21.103 flat angles P-C4'-P energy: -12.750 tors. eta vs tors. theta energy: -10.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -135.972683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.972683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.972683 (E_RNA) where: Base-Base interactions energy: -68.954 where: short stacking energy: -45.803 Base-Backbone interact. energy: -0.369 local terms energy: -66.650143 where: bonds (distance) C4'-P energy: -17.539 bonds (distance) P-C4' energy: -22.408 flat angles C4'-P-C4' energy: -14.538 flat angles P-C4'-P energy: -7.572 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: 1, replica: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -383.854109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.854109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.854109 (E_RNA) where: Base-Base interactions energy: -265.616 where: short stacking energy: -121.330 Base-Backbone interact. energy: 0.028 local terms energy: -118.265826 where: bonds (distance) C4'-P energy: -22.792 bonds (distance) P-C4' energy: -18.722 flat angles C4'-P-C4' energy: -24.878 flat angles P-C4'-P energy: -19.215 tors. eta vs tors. theta energy: -32.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -374.618710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.618710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.618710 (E_RNA) where: Base-Base interactions energy: -244.548 where: short stacking energy: -124.279 Base-Backbone interact. energy: -0.268 local terms energy: -129.803332 where: bonds (distance) C4'-P energy: -24.468 bonds (distance) P-C4' energy: -25.042 flat angles C4'-P-C4' energy: -27.278 flat angles P-C4'-P energy: -18.470 tors. eta vs tors. theta energy: -34.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -381.672465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.672465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.672465 (E_RNA) where: Base-Base interactions energy: -266.580 where: short stacking energy: -103.737 Base-Backbone interact. energy: -0.865 local terms energy: -114.227451 where: bonds (distance) C4'-P energy: -26.149 bonds (distance) P-C4' energy: -25.128 flat angles C4'-P-C4' energy: -22.507 flat angles P-C4'-P energy: -13.795 tors. eta vs tors. theta energy: -26.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -348.978944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.978944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.978944 (E_RNA) where: Base-Base interactions energy: -236.031 where: short stacking energy: -104.775 Base-Backbone interact. energy: 0.211 local terms energy: -113.159108 where: bonds (distance) C4'-P energy: -22.357 bonds (distance) P-C4' energy: -18.076 flat angles C4'-P-C4' energy: -26.635 flat angles P-C4'-P energy: -20.055 tors. eta vs tors. theta energy: -26.035 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: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -344.470520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.470520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.470520 (E_RNA) where: Base-Base interactions energy: -236.848 where: short stacking energy: -108.593 Base-Backbone interact. energy: -0.049 local terms energy: -107.573856 where: bonds (distance) C4'-P energy: -16.874 bonds (distance) P-C4' energy: -20.595 flat angles C4'-P-C4' energy: -21.631 flat angles P-C4'-P energy: -16.837 tors. eta vs tors. theta energy: -31.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -270.136719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.136719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.136719 (E_RNA) where: Base-Base interactions energy: -173.659 where: short stacking energy: -82.221 Base-Backbone interact. energy: -0.197 local terms energy: -96.280462 where: bonds (distance) C4'-P energy: -20.758 bonds (distance) P-C4' energy: -29.761 flat angles C4'-P-C4' energy: -21.463 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -17.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -307.840996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.840996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.840996 (E_RNA) where: Base-Base interactions energy: -189.100 where: short stacking energy: -93.190 Base-Backbone interact. energy: -0.695 local terms energy: -118.046482 where: bonds (distance) C4'-P energy: -23.047 bonds (distance) P-C4' energy: -20.775 flat angles C4'-P-C4' energy: -27.028 flat angles P-C4'-P energy: -18.593 tors. eta vs tors. theta energy: -28.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -224.526645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.526645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.526645 (E_RNA) where: Base-Base interactions energy: -130.457 where: short stacking energy: -53.605 Base-Backbone interact. energy: -1.958 local terms energy: -92.112162 where: bonds (distance) C4'-P energy: -19.091 bonds (distance) P-C4' energy: -22.630 flat angles C4'-P-C4' energy: -22.002 flat angles P-C4'-P energy: -18.696 tors. eta vs tors. theta energy: -9.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -224.297025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.297025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.297025 (E_RNA) where: Base-Base interactions energy: -143.842 where: short stacking energy: -59.779 Base-Backbone interact. energy: -0.721 local terms energy: -79.733979 where: bonds (distance) C4'-P energy: -22.795 bonds (distance) P-C4' energy: -15.329 flat angles C4'-P-C4' energy: -23.288 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -11.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -122.196220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.196220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.196220 (E_RNA) where: Base-Base interactions energy: -54.139 where: short stacking energy: -36.790 Base-Backbone interact. energy: -0.091 local terms energy: -67.966500 where: bonds (distance) C4'-P energy: -21.189 bonds (distance) P-C4' energy: -17.686 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -11.872 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -399.255766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.255766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.255766 (E_RNA) where: Base-Base interactions energy: -283.602 where: short stacking energy: -120.481 Base-Backbone interact. energy: -0.666 local terms energy: -114.987809 where: bonds (distance) C4'-P energy: -21.402 bonds (distance) P-C4' energy: -24.912 flat angles C4'-P-C4' energy: -25.062 flat angles P-C4'-P energy: -11.696 tors. eta vs tors. theta energy: -31.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -370.277782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.277782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.277782 (E_RNA) where: Base-Base interactions energy: -243.686 where: short stacking energy: -119.903 Base-Backbone interact. energy: -0.540 local terms energy: -126.051898 where: bonds (distance) C4'-P energy: -22.290 bonds (distance) P-C4' energy: -26.927 flat angles C4'-P-C4' energy: -26.035 flat angles P-C4'-P energy: -18.666 tors. eta vs tors. theta energy: -32.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -380.359358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.359358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.359358 (E_RNA) where: Base-Base interactions energy: -256.618 where: short stacking energy: -122.521 Base-Backbone interact. energy: -1.108 local terms energy: -122.632924 where: bonds (distance) C4'-P energy: -21.830 bonds (distance) P-C4' energy: -19.620 flat angles C4'-P-C4' energy: -26.635 flat angles P-C4'-P energy: -18.163 tors. eta vs tors. theta energy: -36.384 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: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -360.584176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.584176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.584176 (E_RNA) where: Base-Base interactions energy: -244.314 where: short stacking energy: -98.529 Base-Backbone interact. energy: -1.588 local terms energy: -114.681505 where: bonds (distance) C4'-P energy: -24.830 bonds (distance) P-C4' energy: -22.129 flat angles C4'-P-C4' energy: -22.866 flat angles P-C4'-P energy: -18.873 tors. eta vs tors. theta energy: -25.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -368.672021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.672021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.672021 (E_RNA) where: Base-Base interactions energy: -250.204 where: short stacking energy: -109.939 Base-Backbone interact. energy: -0.305 local terms energy: -118.163495 where: bonds (distance) C4'-P energy: -19.623 bonds (distance) P-C4' energy: -23.005 flat angles C4'-P-C4' energy: -21.687 flat angles P-C4'-P energy: -17.398 tors. eta vs tors. theta energy: -36.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -256.226561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.226561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.226561 (E_RNA) where: Base-Base interactions energy: -156.972 where: short stacking energy: -85.882 Base-Backbone interact. energy: -0.608 local terms energy: -98.646280 where: bonds (distance) C4'-P energy: -20.958 bonds (distance) P-C4' energy: -19.102 flat angles C4'-P-C4' energy: -20.801 flat angles P-C4'-P energy: -17.767 tors. eta vs tors. theta energy: -20.017 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: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -281.043391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.043391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.043391 (E_RNA) where: Base-Base interactions energy: -180.225 where: short stacking energy: -78.290 Base-Backbone interact. energy: -1.508 local terms energy: -99.310088 where: bonds (distance) C4'-P energy: -18.136 bonds (distance) P-C4' energy: -23.289 flat angles C4'-P-C4' energy: -23.458 flat angles P-C4'-P energy: -16.173 tors. eta vs tors. theta energy: -18.254 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: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -235.070396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.070396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.070396 (E_RNA) where: Base-Base interactions energy: -154.517 where: short stacking energy: -60.507 Base-Backbone interact. energy: 4.896 local terms energy: -85.449466 where: bonds (distance) C4'-P energy: -21.716 bonds (distance) P-C4' energy: -21.719 flat angles C4'-P-C4' energy: -20.975 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -10.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -194.184175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.184175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.184175 (E_RNA) where: Base-Base interactions energy: -111.987 where: short stacking energy: -51.243 Base-Backbone interact. energy: -0.349 local terms energy: -81.847634 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -24.058 flat angles C4'-P-C4' energy: -18.933 flat angles P-C4'-P energy: -14.979 tors. eta vs tors. theta energy: -8.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -196.633454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.633454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.633454 (E_RNA) where: Base-Base interactions energy: -106.879 where: short stacking energy: -54.589 Base-Backbone interact. energy: -0.485 local terms energy: -89.269645 where: bonds (distance) C4'-P energy: -19.259 bonds (distance) P-C4' energy: -27.566 flat angles C4'-P-C4' energy: -20.758 flat angles P-C4'-P energy: -12.631 tors. eta vs tors. theta energy: -9.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -394.616077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.616077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.616077 (E_RNA) where: Base-Base interactions energy: -267.465 where: short stacking energy: -121.390 Base-Backbone interact. energy: -0.524 local terms energy: -126.627434 where: bonds (distance) C4'-P energy: -24.457 bonds (distance) P-C4' energy: -25.953 flat angles C4'-P-C4' energy: -27.456 flat angles P-C4'-P energy: -18.112 tors. eta vs tors. theta energy: -30.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -383.521188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.521188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.521188 (E_RNA) where: Base-Base interactions energy: -260.898 where: short stacking energy: -118.259 Base-Backbone interact. energy: -0.044 local terms energy: -122.578937 where: bonds (distance) C4'-P energy: -22.237 bonds (distance) P-C4' energy: -24.027 flat angles C4'-P-C4' energy: -26.874 flat angles P-C4'-P energy: -17.978 tors. eta vs tors. theta energy: -31.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -365.689704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.689704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.689704 (E_RNA) where: Base-Base interactions energy: -238.117 where: short stacking energy: -119.832 Base-Backbone interact. energy: -1.412 local terms energy: -126.161223 where: bonds (distance) C4'-P energy: -26.468 bonds (distance) P-C4' energy: -23.540 flat angles C4'-P-C4' energy: -27.190 flat angles P-C4'-P energy: -14.341 tors. eta vs tors. theta energy: -34.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -363.773304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.773304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.773304 (E_RNA) where: Base-Base interactions energy: -247.630 where: short stacking energy: -97.585 Base-Backbone interact. energy: -0.040 local terms energy: -116.103223 where: bonds (distance) C4'-P energy: -22.475 bonds (distance) P-C4' energy: -25.505 flat angles C4'-P-C4' energy: -24.935 flat angles P-C4'-P energy: -13.175 tors. eta vs tors. theta energy: -30.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -353.207563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.207563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.207563 (E_RNA) where: Base-Base interactions energy: -233.516 where: short stacking energy: -110.278 Base-Backbone interact. energy: -0.016 local terms energy: -119.676161 where: bonds (distance) C4'-P energy: -24.883 bonds (distance) P-C4' energy: -18.500 flat angles C4'-P-C4' energy: -23.058 flat angles P-C4'-P energy: -17.617 tors. eta vs tors. theta energy: -35.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -305.678252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.678252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.678252 (E_RNA) where: Base-Base interactions energy: -199.682 where: short stacking energy: -92.213 Base-Backbone interact. energy: -1.338 local terms energy: -104.658842 where: bonds (distance) C4'-P energy: -21.519 bonds (distance) P-C4' energy: -21.101 flat angles C4'-P-C4' energy: -19.903 flat angles P-C4'-P energy: -15.705 tors. eta vs tors. theta energy: -26.430 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: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -237.657830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.657830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.657830 (E_RNA) where: Base-Base interactions energy: -143.362 where: short stacking energy: -59.065 Base-Backbone interact. energy: -0.928 local terms energy: -93.367853 where: bonds (distance) C4'-P energy: -23.205 bonds (distance) P-C4' energy: -21.946 flat angles C4'-P-C4' energy: -22.580 flat angles P-C4'-P energy: -16.699 tors. eta vs tors. theta energy: -8.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -238.161223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.161223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.161223 (E_RNA) where: Base-Base interactions energy: -154.116 where: short stacking energy: -66.415 Base-Backbone interact. energy: -0.066 local terms energy: -83.979511 where: bonds (distance) C4'-P energy: -21.769 bonds (distance) P-C4' energy: -21.923 flat angles C4'-P-C4' energy: -16.371 flat angles P-C4'-P energy: -14.399 tors. eta vs tors. theta energy: -9.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -220.107049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.107049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.107049 (E_RNA) where: Base-Base interactions energy: -131.272 where: short stacking energy: -54.276 Base-Backbone interact. energy: -0.486 local terms energy: -88.349284 where: bonds (distance) C4'-P energy: -19.157 bonds (distance) P-C4' energy: -24.904 flat angles C4'-P-C4' energy: -23.791 flat angles P-C4'-P energy: -14.260 tors. eta vs tors. theta energy: -6.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -189.540686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.540686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.540686 (E_RNA) where: Base-Base interactions energy: -115.543 where: short stacking energy: -53.581 Base-Backbone interact. energy: -0.348 local terms energy: -73.649575 where: bonds (distance) C4'-P energy: -16.340 bonds (distance) P-C4' energy: -19.418 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -12.997 tors. eta vs tors. theta energy: -10.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -393.054222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.054222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.054222 (E_RNA) where: Base-Base interactions energy: -263.292 where: short stacking energy: -119.056 Base-Backbone interact. energy: -0.184 local terms energy: -129.578525 where: bonds (distance) C4'-P energy: -24.721 bonds (distance) P-C4' energy: -23.940 flat angles C4'-P-C4' energy: -28.330 flat angles P-C4'-P energy: -18.486 tors. eta vs tors. theta energy: -34.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -389.109518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.109518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.109518 (E_RNA) where: Base-Base interactions energy: -254.264 where: short stacking energy: -120.550 Base-Backbone interact. energy: -0.797 local terms energy: -134.048660 where: bonds (distance) C4'-P energy: -27.804 bonds (distance) P-C4' energy: -28.164 flat angles C4'-P-C4' energy: -27.763 flat angles P-C4'-P energy: -19.173 tors. eta vs tors. theta energy: -31.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -361.476738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.476738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.476738 (E_RNA) where: Base-Base interactions energy: -235.587 where: short stacking energy: -90.958 Base-Backbone interact. energy: -2.218 local terms energy: -123.671992 where: bonds (distance) C4'-P energy: -25.465 bonds (distance) P-C4' energy: -24.620 flat angles C4'-P-C4' energy: -27.805 flat angles P-C4'-P energy: -15.555 tors. eta vs tors. theta energy: -30.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -346.750972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.750972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.750972 (E_RNA) where: Base-Base interactions energy: -231.205 where: short stacking energy: -114.536 Base-Backbone interact. energy: -0.656 local terms energy: -114.890007 where: bonds (distance) C4'-P energy: -19.263 bonds (distance) P-C4' energy: -19.981 flat angles C4'-P-C4' energy: -27.420 flat angles P-C4'-P energy: -16.123 tors. eta vs tors. theta energy: -32.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -330.000451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.000451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.000451 (E_RNA) where: Base-Base interactions energy: -215.756 where: short stacking energy: -104.736 Base-Backbone interact. energy: -0.286 local terms energy: -113.958522 where: bonds (distance) C4'-P energy: -17.169 bonds (distance) P-C4' energy: -26.948 flat angles C4'-P-C4' energy: -29.433 flat angles P-C4'-P energy: -12.288 tors. eta vs tors. theta energy: -28.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -351.419266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.419266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.419266 (E_RNA) where: Base-Base interactions energy: -236.014 where: short stacking energy: -84.751 Base-Backbone interact. energy: -0.396 local terms energy: -115.009152 where: bonds (distance) C4'-P energy: -24.223 bonds (distance) P-C4' energy: -23.553 flat angles C4'-P-C4' energy: -23.324 flat angles P-C4'-P energy: -16.228 tors. eta vs tors. theta energy: -27.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -242.256707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.256707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.256707 (E_RNA) where: Base-Base interactions energy: -157.100 where: short stacking energy: -66.871 Base-Backbone interact. energy: 1.178 local terms energy: -86.334702 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -25.377 flat angles C4'-P-C4' energy: -20.082 flat angles P-C4'-P energy: -16.747 tors. eta vs tors. theta energy: -11.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -237.515143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.515143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.515143 (E_RNA) where: Base-Base interactions energy: -150.135 where: short stacking energy: -70.996 Base-Backbone interact. energy: 0.393 local terms energy: -87.773182 where: bonds (distance) C4'-P energy: -19.851 bonds (distance) P-C4' energy: -20.847 flat angles C4'-P-C4' energy: -22.481 flat angles P-C4'-P energy: -15.874 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -234.457756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.457756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.457756 (E_RNA) where: Base-Base interactions energy: -143.488 where: short stacking energy: -73.070 Base-Backbone interact. energy: -0.197 local terms energy: -90.773584 where: bonds (distance) C4'-P energy: -20.958 bonds (distance) P-C4' energy: -22.369 flat angles C4'-P-C4' energy: -22.599 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: -17.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -178.530057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.530057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.530057 (E_RNA) where: Base-Base interactions energy: -95.880 where: short stacking energy: -57.395 Base-Backbone interact. energy: -0.110 local terms energy: -82.540329 where: bonds (distance) C4'-P energy: -18.151 bonds (distance) P-C4' energy: -25.350 flat angles C4'-P-C4' energy: -21.418 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -9.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -399.971330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.971330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.971330 (E_RNA) where: Base-Base interactions energy: -273.105 where: short stacking energy: -116.492 Base-Backbone interact. energy: -0.030 local terms energy: -126.836040 where: bonds (distance) C4'-P energy: -21.420 bonds (distance) P-C4' energy: -27.359 flat angles C4'-P-C4' energy: -22.660 flat angles P-C4'-P energy: -21.922 tors. eta vs tors. theta energy: -33.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -370.822342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.822342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.822342 (E_RNA) where: Base-Base interactions energy: -256.151 where: short stacking energy: -97.794 Base-Backbone interact. energy: -0.113 local terms energy: -114.557508 where: bonds (distance) C4'-P energy: -23.862 bonds (distance) P-C4' energy: -23.356 flat angles C4'-P-C4' energy: -23.981 flat angles P-C4'-P energy: -18.549 tors. eta vs tors. theta energy: -24.810 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: 3, replica: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -364.687356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.687356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.687356 (E_RNA) where: Base-Base interactions energy: -246.756 where: short stacking energy: -109.461 Base-Backbone interact. energy: -2.019 local terms energy: -115.911873 where: bonds (distance) C4'-P energy: -21.328 bonds (distance) P-C4' energy: -21.381 flat angles C4'-P-C4' energy: -26.005 flat angles P-C4'-P energy: -18.030 tors. eta vs tors. theta energy: -29.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -349.829630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.829630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.829630 (E_RNA) where: Base-Base interactions energy: -232.926 where: short stacking energy: -122.241 Base-Backbone interact. energy: 0.071 local terms energy: -116.974747 where: bonds (distance) C4'-P energy: -19.617 bonds (distance) P-C4' energy: -23.642 flat angles C4'-P-C4' energy: -18.179 flat angles P-C4'-P energy: -21.055 tors. eta vs tors. theta energy: -34.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -320.632310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.632310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.632310 (E_RNA) where: Base-Base interactions energy: -209.100 where: short stacking energy: -93.735 Base-Backbone interact. energy: -0.030 local terms energy: -111.502277 where: bonds (distance) C4'-P energy: -18.558 bonds (distance) P-C4' energy: -23.493 flat angles C4'-P-C4' energy: -23.321 flat angles P-C4'-P energy: -18.404 tors. eta vs tors. theta energy: -27.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -334.900990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.900990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.900990 (E_RNA) where: Base-Base interactions energy: -216.310 where: short stacking energy: -95.104 Base-Backbone interact. energy: -1.023 local terms energy: -117.568630 where: bonds (distance) C4'-P energy: -26.213 bonds (distance) P-C4' energy: -24.669 flat angles C4'-P-C4' energy: -25.211 flat angles P-C4'-P energy: -12.162 tors. eta vs tors. theta energy: -29.313 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: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -240.408973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.408973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.408973 (E_RNA) where: Base-Base interactions energy: -148.687 where: short stacking energy: -56.033 Base-Backbone interact. energy: -0.338 local terms energy: -91.384203 where: bonds (distance) C4'-P energy: -28.119 bonds (distance) P-C4' energy: -22.313 flat angles C4'-P-C4' energy: -17.915 flat angles P-C4'-P energy: -17.160 tors. eta vs tors. theta energy: -5.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -224.492079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.492079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.492079 (E_RNA) where: Base-Base interactions energy: -148.003 where: short stacking energy: -82.404 Base-Backbone interact. energy: -0.347 local terms energy: -76.141534 where: bonds (distance) C4'-P energy: -18.201 bonds (distance) P-C4' energy: -17.397 flat angles C4'-P-C4' energy: -20.098 flat angles P-C4'-P energy: -11.053 tors. eta vs tors. theta energy: -9.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -221.159109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.159109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.159109 (E_RNA) where: Base-Base interactions energy: -145.812 where: short stacking energy: -68.455 Base-Backbone interact. energy: -0.155 local terms energy: -75.192346 where: bonds (distance) C4'-P energy: -19.051 bonds (distance) P-C4' energy: -19.427 flat angles C4'-P-C4' energy: -20.880 flat angles P-C4'-P energy: -10.978 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: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -172.106159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.106159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.106159 (E_RNA) where: Base-Base interactions energy: -96.740 where: short stacking energy: -58.289 Base-Backbone interact. energy: -0.529 local terms energy: -74.837226 where: bonds (distance) C4'-P energy: -22.811 bonds (distance) P-C4' energy: -21.570 flat angles C4'-P-C4' energy: -19.511 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: 0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -377.322105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.322105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.322105 (E_RNA) where: Base-Base interactions energy: -265.305 where: short stacking energy: -105.949 Base-Backbone interact. energy: -0.114 local terms energy: -111.903726 where: bonds (distance) C4'-P energy: -22.590 bonds (distance) P-C4' energy: -28.207 flat angles C4'-P-C4' energy: -20.992 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -29.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -386.961538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.961538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.961538 (E_RNA) where: Base-Base interactions energy: -267.073 where: short stacking energy: -113.838 Base-Backbone interact. energy: -0.367 local terms energy: -119.521263 where: bonds (distance) C4'-P energy: -18.180 bonds (distance) P-C4' energy: -26.418 flat angles C4'-P-C4' energy: -27.872 flat angles P-C4'-P energy: -13.677 tors. eta vs tors. theta energy: -33.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -355.020915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.020915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.020915 (E_RNA) where: Base-Base interactions energy: -250.665 where: short stacking energy: -109.715 Base-Backbone interact. energy: -0.012 local terms energy: -104.343272 where: bonds (distance) C4'-P energy: -19.573 bonds (distance) P-C4' energy: -19.012 flat angles C4'-P-C4' energy: -25.497 flat angles P-C4'-P energy: -11.780 tors. eta vs tors. theta energy: -28.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -366.552612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.552612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.552612 (E_RNA) where: Base-Base interactions energy: -242.855 where: short stacking energy: -107.405 Base-Backbone interact. energy: 0.841 local terms energy: -124.538936 where: bonds (distance) C4'-P energy: -22.059 bonds (distance) P-C4' energy: -24.387 flat angles C4'-P-C4' energy: -26.955 flat angles P-C4'-P energy: -19.552 tors. eta vs tors. theta energy: -31.586 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: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -344.700701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.700701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.700701 (E_RNA) where: Base-Base interactions energy: -226.749 where: short stacking energy: -83.230 Base-Backbone interact. energy: -0.131 local terms energy: -117.819740 where: bonds (distance) C4'-P energy: -26.376 bonds (distance) P-C4' energy: -26.018 flat angles C4'-P-C4' energy: -23.156 flat angles P-C4'-P energy: -18.281 tors. eta vs tors. theta energy: -23.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -335.774108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.774108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.774108 (E_RNA) where: Base-Base interactions energy: -218.991 where: short stacking energy: -93.422 Base-Backbone interact. energy: 0.741 local terms energy: -117.523755 where: bonds (distance) C4'-P energy: -22.991 bonds (distance) P-C4' energy: -24.189 flat angles C4'-P-C4' energy: -20.270 flat angles P-C4'-P energy: -19.434 tors. eta vs tors. theta energy: -30.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -240.606016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.606016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.606016 (E_RNA) where: Base-Base interactions energy: -151.891 where: short stacking energy: -70.151 Base-Backbone interact. energy: -0.286 local terms energy: -88.428969 where: bonds (distance) C4'-P energy: -19.602 bonds (distance) P-C4' energy: -25.647 flat angles C4'-P-C4' energy: -24.893 flat angles P-C4'-P energy: -10.557 tors. eta vs tors. theta energy: -7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -228.903205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.903205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.903205 (E_RNA) where: Base-Base interactions energy: -136.089 where: short stacking energy: -62.221 Base-Backbone interact. energy: -0.139 local terms energy: -92.675553 where: bonds (distance) C4'-P energy: -21.730 bonds (distance) P-C4' energy: -25.256 flat angles C4'-P-C4' energy: -20.989 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -15.320 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: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -180.372475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.372475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.372475 (E_RNA) where: Base-Base interactions energy: -96.602 where: short stacking energy: -43.268 Base-Backbone interact. energy: -0.553 local terms energy: -83.217089 where: bonds (distance) C4'-P energy: -17.570 bonds (distance) P-C4' energy: -23.228 flat angles C4'-P-C4' energy: -22.153 flat angles P-C4'-P energy: -18.272 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: 10, replica: 6 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -171.363568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.363568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.363568 (E_RNA) where: Base-Base interactions energy: -98.467 where: short stacking energy: -53.180 Base-Backbone interact. energy: 0.251 local terms energy: -73.148496 where: bonds (distance) C4'-P energy: -16.130 bonds (distance) P-C4' energy: -17.803 flat angles C4'-P-C4' energy: -23.100 flat angles P-C4'-P energy: -5.844 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: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -380.242233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.242233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.242233 (E_RNA) where: Base-Base interactions energy: -259.208 where: short stacking energy: -106.585 Base-Backbone interact. energy: -0.028 local terms energy: -121.006205 where: bonds (distance) C4'-P energy: -27.780 bonds (distance) P-C4' energy: -26.508 flat angles C4'-P-C4' energy: -20.252 flat angles P-C4'-P energy: -18.448 tors. eta vs tors. theta energy: -28.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -379.168731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.168731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.168731 (E_RNA) where: Base-Base interactions energy: -261.027 where: short stacking energy: -119.837 Base-Backbone interact. energy: -0.148 local terms energy: -117.993608 where: bonds (distance) C4'-P energy: -22.406 bonds (distance) P-C4' energy: -20.367 flat angles C4'-P-C4' energy: -25.213 flat angles P-C4'-P energy: -13.155 tors. eta vs tors. theta energy: -36.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -381.633214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.633214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.633214 (E_RNA) where: Base-Base interactions energy: -262.950 where: short stacking energy: -113.524 Base-Backbone interact. energy: 0.219 local terms energy: -118.902552 where: bonds (distance) C4'-P energy: -15.458 bonds (distance) P-C4' energy: -27.300 flat angles C4'-P-C4' energy: -26.932 flat angles P-C4'-P energy: -15.970 tors. eta vs tors. theta energy: -33.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -371.295523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.295523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.295523 (E_RNA) where: Base-Base interactions energy: -252.530 where: short stacking energy: -113.057 Base-Backbone interact. energy: -0.771 local terms energy: -117.994650 where: bonds (distance) C4'-P energy: -20.976 bonds (distance) P-C4' energy: -24.369 flat angles C4'-P-C4' energy: -27.908 flat angles P-C4'-P energy: -13.799 tors. eta vs tors. theta energy: -30.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -343.158514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.158514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.158514 (E_RNA) where: Base-Base interactions energy: -234.232 where: short stacking energy: -92.499 Base-Backbone interact. energy: -0.187 local terms energy: -108.739246 where: bonds (distance) C4'-P energy: -24.331 bonds (distance) P-C4' energy: -21.677 flat angles C4'-P-C4' energy: -17.015 flat angles P-C4'-P energy: -16.155 tors. eta vs tors. theta energy: -29.563 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: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -299.911944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.911944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.911944 (E_RNA) where: Base-Base interactions energy: -193.580 where: short stacking energy: -88.212 Base-Backbone interact. energy: -0.112 local terms energy: -106.220202 where: bonds (distance) C4'-P energy: -20.873 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -26.894 flat angles P-C4'-P energy: -15.028 tors. eta vs tors. theta energy: -26.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -261.342726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.342726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.342726 (E_RNA) where: Base-Base interactions energy: -167.535 where: short stacking energy: -74.280 Base-Backbone interact. energy: -0.555 local terms energy: -93.252436 where: bonds (distance) C4'-P energy: -22.208 bonds (distance) P-C4' energy: -24.489 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -16.734 tors. eta vs tors. theta energy: -16.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -237.967405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.967405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.967405 (E_RNA) where: Base-Base interactions energy: -161.504 where: short stacking energy: -75.124 Base-Backbone interact. energy: -0.243 local terms energy: -76.220441 where: bonds (distance) C4'-P energy: -21.436 bonds (distance) P-C4' energy: -20.262 flat angles C4'-P-C4' energy: -9.724 flat angles P-C4'-P energy: -10.759 tors. eta vs tors. theta energy: -14.039 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: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -180.233382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.233382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.233382 (E_RNA) where: Base-Base interactions energy: -102.640 where: short stacking energy: -51.881 Base-Backbone interact. energy: 1.357 local terms energy: -78.950695 where: bonds (distance) C4'-P energy: -22.249 bonds (distance) P-C4' energy: -26.214 flat angles C4'-P-C4' energy: -14.302 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -186.658968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.658968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.658968 (E_RNA) where: Base-Base interactions energy: -113.971 where: short stacking energy: -61.887 Base-Backbone interact. energy: -0.605 local terms energy: -72.082982 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -25.817 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -14.093 tors. eta vs tors. theta energy: -6.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -374.453867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.453867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.453867 (E_RNA) where: Base-Base interactions energy: -247.117 where: short stacking energy: -115.098 Base-Backbone interact. energy: -0.506 local terms energy: -126.831526 where: bonds (distance) C4'-P energy: -29.589 bonds (distance) P-C4' energy: -26.096 flat angles C4'-P-C4' energy: -20.367 flat angles P-C4'-P energy: -19.174 tors. eta vs tors. theta energy: -31.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -374.319682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.319682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.319682 (E_RNA) where: Base-Base interactions energy: -256.451 where: short stacking energy: -111.484 Base-Backbone interact. energy: -0.155 local terms energy: -117.713818 where: bonds (distance) C4'-P energy: -21.056 bonds (distance) P-C4' energy: -23.542 flat angles C4'-P-C4' energy: -24.884 flat angles P-C4'-P energy: -16.765 tors. eta vs tors. theta energy: -31.467 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: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -380.696311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.696311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.696311 (E_RNA) where: Base-Base interactions energy: -267.301 where: short stacking energy: -123.358 Base-Backbone interact. energy: -1.350 local terms energy: -112.045332 where: bonds (distance) C4'-P energy: -19.423 bonds (distance) P-C4' energy: -22.627 flat angles C4'-P-C4' energy: -24.350 flat angles P-C4'-P energy: -12.881 tors. eta vs tors. theta energy: -32.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -371.443781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.443781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.443781 (E_RNA) where: Base-Base interactions energy: -249.255 where: short stacking energy: -112.775 Base-Backbone interact. energy: 1.327 local terms energy: -123.515283 where: bonds (distance) C4'-P energy: -19.863 bonds (distance) P-C4' energy: -26.153 flat angles C4'-P-C4' energy: -22.697 flat angles P-C4'-P energy: -17.807 tors. eta vs tors. theta energy: -36.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -348.819761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.819761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.819761 (E_RNA) where: Base-Base interactions energy: -230.951 where: short stacking energy: -106.448 Base-Backbone interact. energy: -0.017 local terms energy: -117.851604 where: bonds (distance) C4'-P energy: -23.413 bonds (distance) P-C4' energy: -28.559 flat angles C4'-P-C4' energy: -18.730 flat angles P-C4'-P energy: -16.540 tors. eta vs tors. theta energy: -30.609 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: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -309.444095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.444095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.444095 (E_RNA) where: Base-Base interactions energy: -202.250 where: short stacking energy: -106.986 Base-Backbone interact. energy: -0.210 local terms energy: -106.984249 where: bonds (distance) C4'-P energy: -16.346 bonds (distance) P-C4' energy: -24.853 flat angles C4'-P-C4' energy: -23.801 flat angles P-C4'-P energy: -14.193 tors. eta vs tors. theta energy: -27.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -277.151653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.151653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.151653 (E_RNA) where: Base-Base interactions energy: -169.881 where: short stacking energy: -82.611 Base-Backbone interact. energy: 0.460 local terms energy: -107.730425 where: bonds (distance) C4'-P energy: -18.429 bonds (distance) P-C4' energy: -24.440 flat angles C4'-P-C4' energy: -22.026 flat angles P-C4'-P energy: -17.840 tors. eta vs tors. theta energy: -24.996 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: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -233.704148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.704148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.704148 (E_RNA) where: Base-Base interactions energy: -148.290 where: short stacking energy: -69.350 Base-Backbone interact. energy: 0.640 local terms energy: -86.054497 where: bonds (distance) C4'-P energy: -15.604 bonds (distance) P-C4' energy: -24.355 flat angles C4'-P-C4' energy: -25.984 flat angles P-C4'-P energy: -12.073 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: 9, replica: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -183.023694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.023694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.023694 (E_RNA) where: Base-Base interactions energy: -108.091 where: short stacking energy: -49.190 Base-Backbone interact. energy: -0.627 local terms energy: -74.305352 where: bonds (distance) C4'-P energy: -18.288 bonds (distance) P-C4' energy: -17.773 flat angles C4'-P-C4' energy: -17.215 flat angles P-C4'-P energy: -12.661 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: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -182.162079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.162079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.162079 (E_RNA) where: Base-Base interactions energy: -95.422 where: short stacking energy: -52.826 Base-Backbone interact. energy: -0.979 local terms energy: -85.761483 where: bonds (distance) C4'-P energy: -21.050 bonds (distance) P-C4' energy: -22.409 flat angles C4'-P-C4' energy: -18.036 flat angles P-C4'-P energy: -17.343 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -371.673274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.673274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.673274 (E_RNA) where: Base-Base interactions energy: -256.493 where: short stacking energy: -108.355 Base-Backbone interact. energy: -0.373 local terms energy: -114.807914 where: bonds (distance) C4'-P energy: -23.707 bonds (distance) P-C4' energy: -25.656 flat angles C4'-P-C4' energy: -21.722 flat angles P-C4'-P energy: -16.054 tors. eta vs tors. theta energy: -27.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -365.944672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.944672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.944672 (E_RNA) where: Base-Base interactions energy: -252.608 where: short stacking energy: -102.619 Base-Backbone interact. energy: -0.177 local terms energy: -113.159775 where: bonds (distance) C4'-P energy: -20.174 bonds (distance) P-C4' energy: -23.126 flat angles C4'-P-C4' energy: -22.070 flat angles P-C4'-P energy: -18.673 tors. eta vs tors. theta energy: -29.117 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: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -391.100262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.100262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.100262 (E_RNA) where: Base-Base interactions energy: -269.381 where: short stacking energy: -117.456 Base-Backbone interact. energy: -0.621 local terms energy: -121.099082 where: bonds (distance) C4'-P energy: -26.084 bonds (distance) P-C4' energy: -22.656 flat angles C4'-P-C4' energy: -22.351 flat angles P-C4'-P energy: -16.187 tors. eta vs tors. theta energy: -33.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -368.068865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.068865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.068865 (E_RNA) where: Base-Base interactions energy: -248.285 where: short stacking energy: -110.868 Base-Backbone interact. energy: -1.291 local terms energy: -118.492565 where: bonds (distance) C4'-P energy: -22.476 bonds (distance) P-C4' energy: -25.176 flat angles C4'-P-C4' energy: -21.644 flat angles P-C4'-P energy: -12.115 tors. eta vs tors. theta energy: -37.082 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: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -329.658391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.658391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.658391 (E_RNA) where: Base-Base interactions energy: -206.446 where: short stacking energy: -87.206 Base-Backbone interact. energy: -1.239 local terms energy: -121.973297 where: bonds (distance) C4'-P energy: -28.098 bonds (distance) P-C4' energy: -28.427 flat angles C4'-P-C4' energy: -25.063 flat angles P-C4'-P energy: -15.635 tors. eta vs tors. theta energy: -24.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -281.899178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.899178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.899178 (E_RNA) where: Base-Base interactions energy: -176.847 where: short stacking energy: -84.942 Base-Backbone interact. energy: -0.312 local terms energy: -104.739904 where: bonds (distance) C4'-P energy: -21.339 bonds (distance) P-C4' energy: -22.201 flat angles C4'-P-C4' energy: -21.815 flat angles P-C4'-P energy: -17.424 tors. eta vs tors. theta energy: -21.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -300.912539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.912539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.912539 (E_RNA) where: Base-Base interactions energy: -193.684 where: short stacking energy: -96.641 Base-Backbone interact. energy: -0.257 local terms energy: -106.971796 where: bonds (distance) C4'-P energy: -24.583 bonds (distance) P-C4' energy: -16.769 flat angles C4'-P-C4' energy: -24.987 flat angles P-C4'-P energy: -11.002 tors. eta vs tors. theta energy: -29.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -252.906606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.906606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.906606 (E_RNA) where: Base-Base interactions energy: -162.041 where: short stacking energy: -82.618 Base-Backbone interact. energy: 2.401 local terms energy: -93.266973 where: bonds (distance) C4'-P energy: -16.022 bonds (distance) P-C4' energy: -24.652 flat angles C4'-P-C4' energy: -18.841 flat angles P-C4'-P energy: -12.358 tors. eta vs tors. theta energy: -21.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -184.838488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.838488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.838488 (E_RNA) where: Base-Base interactions energy: -100.951 where: short stacking energy: -44.631 Base-Backbone interact. energy: -1.362 local terms energy: -82.525233 where: bonds (distance) C4'-P energy: -16.452 bonds (distance) P-C4' energy: -25.047 flat angles C4'-P-C4' energy: -18.031 flat angles P-C4'-P energy: -13.997 tors. eta vs tors. theta energy: -8.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -161.144366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.144366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.144366 (E_RNA) where: Base-Base interactions energy: -74.989 where: short stacking energy: -47.952 Base-Backbone interact. energy: -0.198 local terms energy: -85.956962 where: bonds (distance) C4'-P energy: -18.840 bonds (distance) P-C4' energy: -25.429 flat angles C4'-P-C4' energy: -21.810 flat angles P-C4'-P energy: -17.999 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -397.367766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.367766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.367766 (E_RNA) where: Base-Base interactions energy: -272.805 where: short stacking energy: -118.737 Base-Backbone interact. energy: -0.028 local terms energy: -124.535352 where: bonds (distance) C4'-P energy: -26.827 bonds (distance) P-C4' energy: -27.121 flat angles C4'-P-C4' energy: -27.774 flat angles P-C4'-P energy: -11.523 tors. eta vs tors. theta energy: -31.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -362.926338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.926338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.926338 (E_RNA) where: Base-Base interactions energy: -235.751 where: short stacking energy: -96.761 Base-Backbone interact. energy: 0.112 local terms energy: -127.287561 where: bonds (distance) C4'-P energy: -25.684 bonds (distance) P-C4' energy: -27.461 flat angles C4'-P-C4' energy: -28.280 flat angles P-C4'-P energy: -18.614 tors. eta vs tors. theta energy: -27.249 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: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -388.576966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.576966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.576966 (E_RNA) where: Base-Base interactions energy: -265.046 where: short stacking energy: -114.278 Base-Backbone interact. energy: -0.457 local terms energy: -123.074373 where: bonds (distance) C4'-P energy: -23.488 bonds (distance) P-C4' energy: -26.056 flat angles C4'-P-C4' energy: -22.995 flat angles P-C4'-P energy: -16.531 tors. eta vs tors. theta energy: -34.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -369.089731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.089731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.089731 (E_RNA) where: Base-Base interactions energy: -249.791 where: short stacking energy: -109.202 Base-Backbone interact. energy: -0.727 local terms energy: -118.571803 where: bonds (distance) C4'-P energy: -19.893 bonds (distance) P-C4' energy: -26.267 flat angles C4'-P-C4' energy: -25.407 flat angles P-C4'-P energy: -13.021 tors. eta vs tors. theta energy: -33.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -315.833042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.833042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.833042 (E_RNA) where: Base-Base interactions energy: -207.638 where: short stacking energy: -92.924 Base-Backbone interact. energy: -0.316 local terms energy: -107.878569 where: bonds (distance) C4'-P energy: -21.985 bonds (distance) P-C4' energy: -26.204 flat angles C4'-P-C4' energy: -26.700 flat angles P-C4'-P energy: -15.103 tors. eta vs tors. theta energy: -17.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -274.887864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.887864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.887864 (E_RNA) where: Base-Base interactions energy: -167.063 where: short stacking energy: -76.064 Base-Backbone interact. energy: -1.469 local terms energy: -106.356080 where: bonds (distance) C4'-P energy: -22.803 bonds (distance) P-C4' energy: -21.842 flat angles C4'-P-C4' energy: -25.388 flat angles P-C4'-P energy: -12.323 tors. eta vs tors. theta energy: -24.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -305.008626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.008626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.008626 (E_RNA) where: Base-Base interactions energy: -195.455 where: short stacking energy: -93.142 Base-Backbone interact. energy: -0.010 local terms energy: -109.543681 where: bonds (distance) C4'-P energy: -22.720 bonds (distance) P-C4' energy: -25.392 flat angles C4'-P-C4' energy: -18.262 flat angles P-C4'-P energy: -16.547 tors. eta vs tors. theta energy: -26.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -246.765680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.765680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.765680 (E_RNA) where: Base-Base interactions energy: -161.086 where: short stacking energy: -74.518 Base-Backbone interact. energy: -0.174 local terms energy: -85.505056 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -21.143 flat angles C4'-P-C4' energy: -19.117 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -18.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -187.795153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.795153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.795153 (E_RNA) where: Base-Base interactions energy: -113.745 where: short stacking energy: -62.203 Base-Backbone interact. energy: 0.553 local terms energy: -74.603868 where: bonds (distance) C4'-P energy: -17.383 bonds (distance) P-C4' energy: -21.873 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -12.187 tors. eta vs tors. theta energy: -7.736 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: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -176.671272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.671272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.671272 (E_RNA) where: Base-Base interactions energy: -104.836 where: short stacking energy: -46.429 Base-Backbone interact. energy: -0.363 local terms energy: -71.471773 where: bonds (distance) C4'-P energy: -16.560 bonds (distance) P-C4' energy: -22.726 flat angles C4'-P-C4' energy: -17.521 flat angles P-C4'-P energy: -11.769 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: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -389.954043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.954043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.954043 (E_RNA) where: Base-Base interactions energy: -273.081 where: short stacking energy: -125.077 Base-Backbone interact. energy: -0.012 local terms energy: -116.861559 where: bonds (distance) C4'-P energy: -22.348 bonds (distance) P-C4' energy: -27.449 flat angles C4'-P-C4' energy: -22.138 flat angles P-C4'-P energy: -13.961 tors. eta vs tors. theta energy: -30.964 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: 159 Temperature: 0.950000 Total energy: -406.251548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.251548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.251548 (E_RNA) where: Base-Base interactions energy: -274.557 where: short stacking energy: -124.100 Base-Backbone interact. energy: -2.311 local terms energy: -129.383493 where: bonds (distance) C4'-P energy: -23.778 bonds (distance) P-C4' energy: -23.511 flat angles C4'-P-C4' energy: -24.363 flat angles P-C4'-P energy: -21.114 tors. eta vs tors. theta energy: -36.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -370.815337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.815337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.815337 (E_RNA) where: Base-Base interactions energy: -251.490 where: short stacking energy: -111.841 Base-Backbone interact. energy: 0.870 local terms energy: -120.194975 where: bonds (distance) C4'-P energy: -21.678 bonds (distance) P-C4' energy: -19.722 flat angles C4'-P-C4' energy: -29.514 flat angles P-C4'-P energy: -17.539 tors. eta vs tors. theta energy: -31.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -321.402678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.402678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.402678 (E_RNA) where: Base-Base interactions energy: -219.583 where: short stacking energy: -103.131 Base-Backbone interact. energy: -0.144 local terms energy: -101.675938 where: bonds (distance) C4'-P energy: -21.752 bonds (distance) P-C4' energy: -21.326 flat angles C4'-P-C4' energy: -20.502 flat angles P-C4'-P energy: -12.203 tors. eta vs tors. theta energy: -25.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -364.463499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.463499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.463499 (E_RNA) where: Base-Base interactions energy: -243.716 where: short stacking energy: -117.896 Base-Backbone interact. energy: -0.953 local terms energy: -119.794926 where: bonds (distance) C4'-P energy: -19.297 bonds (distance) P-C4' energy: -26.951 flat angles C4'-P-C4' energy: -20.659 flat angles P-C4'-P energy: -16.530 tors. eta vs tors. theta energy: -36.357 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: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -290.750592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.750592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.750592 (E_RNA) where: Base-Base interactions energy: -177.311 where: short stacking energy: -100.516 Base-Backbone interact. energy: -0.846 local terms energy: -112.594055 where: bonds (distance) C4'-P energy: -18.635 bonds (distance) P-C4' energy: -24.169 flat angles C4'-P-C4' energy: -22.831 flat angles P-C4'-P energy: -21.065 tors. eta vs tors. theta energy: -25.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -256.651701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.651701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.651701 (E_RNA) where: Base-Base interactions energy: -168.797 where: short stacking energy: -81.492 Base-Backbone interact. energy: -0.124 local terms energy: -87.731185 where: bonds (distance) C4'-P energy: -21.341 bonds (distance) P-C4' energy: -17.549 flat angles C4'-P-C4' energy: -20.932 flat angles P-C4'-P energy: -13.622 tors. eta vs tors. theta energy: -14.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -246.420399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.420399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.420399 (E_RNA) where: Base-Base interactions energy: -148.481 where: short stacking energy: -77.321 Base-Backbone interact. energy: -0.397 local terms energy: -97.541870 where: bonds (distance) C4'-P energy: -22.717 bonds (distance) P-C4' energy: -24.904 flat angles C4'-P-C4' energy: -16.743 flat angles P-C4'-P energy: -16.717 tors. eta vs tors. theta energy: -16.461 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: 9, replica: 6 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -197.069168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.069168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.069168 (E_RNA) where: Base-Base interactions energy: -117.555 where: short stacking energy: -66.065 Base-Backbone interact. energy: -0.395 local terms energy: -79.119789 where: bonds (distance) C4'-P energy: -21.666 bonds (distance) P-C4' energy: -21.005 flat angles C4'-P-C4' energy: -17.272 flat angles P-C4'-P energy: -11.772 tors. eta vs tors. theta energy: -7.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -144.696393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.696393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.696393 (E_RNA) where: Base-Base interactions energy: -76.311 where: short stacking energy: -51.587 Base-Backbone interact. energy: -0.979 local terms energy: -67.407072 where: bonds (distance) C4'-P energy: -16.957 bonds (distance) P-C4' energy: -17.106 flat angles C4'-P-C4' energy: -17.066 flat angles P-C4'-P energy: -8.127 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: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -383.835693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.835693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.835693 (E_RNA) where: Base-Base interactions energy: -259.305 where: short stacking energy: -119.333 Base-Backbone interact. energy: -1.060 local terms energy: -123.470986 where: bonds (distance) C4'-P energy: -24.642 bonds (distance) P-C4' energy: -18.491 flat angles C4'-P-C4' energy: -26.029 flat angles P-C4'-P energy: -21.441 tors. eta vs tors. theta energy: -32.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -403.542364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.542364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.542364 (E_RNA) where: Base-Base interactions energy: -276.811 where: short stacking energy: -119.361 Base-Backbone interact. energy: -1.610 local terms energy: -125.121462 where: bonds (distance) C4'-P energy: -21.146 bonds (distance) P-C4' energy: -21.842 flat angles C4'-P-C4' energy: -28.198 flat angles P-C4'-P energy: -15.986 tors. eta vs tors. theta energy: -37.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -367.877912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.877912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.877912 (E_RNA) where: Base-Base interactions energy: -247.646 where: short stacking energy: -120.392 Base-Backbone interact. energy: -2.199 local terms energy: -118.032937 where: bonds (distance) C4'-P energy: -21.193 bonds (distance) P-C4' energy: -23.322 flat angles C4'-P-C4' energy: -22.579 flat angles P-C4'-P energy: -18.531 tors. eta vs tors. theta energy: -32.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -347.970524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.970524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.970524 (E_RNA) where: Base-Base interactions energy: -230.763 where: short stacking energy: -106.517 Base-Backbone interact. energy: -0.215 local terms energy: -116.992369 where: bonds (distance) C4'-P energy: -22.067 bonds (distance) P-C4' energy: -17.786 flat angles C4'-P-C4' energy: -26.401 flat angles P-C4'-P energy: -17.046 tors. eta vs tors. theta energy: -33.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -354.870505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.870505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.870505 (E_RNA) where: Base-Base interactions energy: -244.149 where: short stacking energy: -112.604 Base-Backbone interact. energy: -2.151 local terms energy: -108.570860 where: bonds (distance) C4'-P energy: -25.449 bonds (distance) P-C4' energy: -16.072 flat angles C4'-P-C4' energy: -20.762 flat angles P-C4'-P energy: -14.775 tors. eta vs tors. theta energy: -31.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -296.074621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.074621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.074621 (E_RNA) where: Base-Base interactions energy: -189.162 where: short stacking energy: -88.685 Base-Backbone interact. energy: -0.035 local terms energy: -106.878528 where: bonds (distance) C4'-P energy: -20.858 bonds (distance) P-C4' energy: -24.489 flat angles C4'-P-C4' energy: -18.127 flat angles P-C4'-P energy: -17.492 tors. eta vs tors. theta energy: -25.913 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: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -239.040368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.040368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.040368 (E_RNA) where: Base-Base interactions energy: -144.212 where: short stacking energy: -67.697 Base-Backbone interact. energy: 0.356 local terms energy: -95.184185 where: bonds (distance) C4'-P energy: -21.785 bonds (distance) P-C4' energy: -22.643 flat angles C4'-P-C4' energy: -21.992 flat angles P-C4'-P energy: -12.063 tors. eta vs tors. theta energy: -16.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -227.859166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.859166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.859166 (E_RNA) where: Base-Base interactions energy: -143.681 where: short stacking energy: -66.523 Base-Backbone interact. energy: -0.228 local terms energy: -83.950175 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -22.435 flat angles C4'-P-C4' energy: -24.340 flat angles P-C4'-P energy: -12.668 tors. eta vs tors. theta energy: -11.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -211.971237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.971237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.971237 (E_RNA) where: Base-Base interactions energy: -131.031 where: short stacking energy: -56.888 Base-Backbone interact. energy: 1.275 local terms energy: -82.215641 where: bonds (distance) C4'-P energy: -18.618 bonds (distance) P-C4' energy: -18.725 flat angles C4'-P-C4' energy: -22.069 flat angles P-C4'-P energy: -14.254 tors. eta vs tors. theta energy: -8.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -174.518653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.518653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.518653 (E_RNA) where: Base-Base interactions energy: -85.803 where: short stacking energy: -51.601 Base-Backbone interact. energy: -0.423 local terms energy: -88.292429 where: bonds (distance) C4'-P energy: -24.389 bonds (distance) P-C4' energy: -27.209 flat angles C4'-P-C4' energy: -18.035 flat angles P-C4'-P energy: -11.871 tors. eta vs tors. theta energy: -6.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -383.149331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.149331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.149331 (E_RNA) where: Base-Base interactions energy: -268.481 where: short stacking energy: -123.347 Base-Backbone interact. energy: -1.152 local terms energy: -113.515782 where: bonds (distance) C4'-P energy: -20.653 bonds (distance) P-C4' energy: -23.987 flat angles C4'-P-C4' energy: -23.783 flat angles P-C4'-P energy: -11.889 tors. eta vs tors. theta energy: -33.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -367.863297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.863297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.863297 (E_RNA) where: Base-Base interactions energy: -245.258 where: short stacking energy: -110.823 Base-Backbone interact. energy: -0.450 local terms energy: -122.155066 where: bonds (distance) C4'-P energy: -24.856 bonds (distance) P-C4' energy: -21.862 flat angles C4'-P-C4' energy: -26.156 flat angles P-C4'-P energy: -15.317 tors. eta vs tors. theta energy: -33.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -389.253366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.253366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.253366 (E_RNA) where: Base-Base interactions energy: -256.979 where: short stacking energy: -106.106 Base-Backbone interact. energy: -0.224 local terms energy: -132.051162 where: bonds (distance) C4'-P energy: -25.346 bonds (distance) P-C4' energy: -25.626 flat angles C4'-P-C4' energy: -24.262 flat angles P-C4'-P energy: -23.560 tors. eta vs tors. theta energy: -33.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -364.799721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.799721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.799721 (E_RNA) where: Base-Base interactions energy: -252.154 where: short stacking energy: -120.135 Base-Backbone interact. energy: 0.078 local terms energy: -112.723294 where: bonds (distance) C4'-P energy: -21.534 bonds (distance) P-C4' energy: -19.528 flat angles C4'-P-C4' energy: -23.831 flat angles P-C4'-P energy: -16.308 tors. eta vs tors. theta energy: -31.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -333.697890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.697890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.697890 (E_RNA) where: Base-Base interactions energy: -216.536 where: short stacking energy: -89.177 Base-Backbone interact. energy: -0.354 local terms energy: -116.807203 where: bonds (distance) C4'-P energy: -23.678 bonds (distance) P-C4' energy: -22.449 flat angles C4'-P-C4' energy: -20.270 flat angles P-C4'-P energy: -21.630 tors. eta vs tors. theta energy: -28.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -303.645030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.645030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.645030 (E_RNA) where: Base-Base interactions energy: -204.038 where: short stacking energy: -90.150 Base-Backbone interact. energy: -0.258 local terms energy: -99.349418 where: bonds (distance) C4'-P energy: -11.750 bonds (distance) P-C4' energy: -25.905 flat angles C4'-P-C4' energy: -24.181 flat angles P-C4'-P energy: -12.304 tors. eta vs tors. theta energy: -25.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -233.711704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.711704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.711704 (E_RNA) where: Base-Base interactions energy: -143.154 where: short stacking energy: -69.773 Base-Backbone interact. energy: 0.484 local terms energy: -91.041899 where: bonds (distance) C4'-P energy: -22.156 bonds (distance) P-C4' energy: -17.882 flat angles C4'-P-C4' energy: -24.387 flat angles P-C4'-P energy: -12.050 tors. eta vs tors. theta energy: -14.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -240.477649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.477649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.477649 (E_RNA) where: Base-Base interactions energy: -153.005 where: short stacking energy: -77.156 Base-Backbone interact. energy: -0.030 local terms energy: -87.442068 where: bonds (distance) C4'-P energy: -17.790 bonds (distance) P-C4' energy: -22.865 flat angles C4'-P-C4' energy: -17.978 flat angles P-C4'-P energy: -14.242 tors. eta vs tors. theta energy: -14.568 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: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -236.681851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.681851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.681851 (E_RNA) where: Base-Base interactions energy: -148.111 where: short stacking energy: -73.350 Base-Backbone interact. energy: 1.190 local terms energy: -89.761435 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -18.242 flat angles C4'-P-C4' energy: -22.088 flat angles P-C4'-P energy: -13.237 tors. eta vs tors. theta energy: -22.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -182.861162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.861162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.861162 (E_RNA) where: Base-Base interactions energy: -105.692 where: short stacking energy: -61.294 Base-Backbone interact. energy: -0.417 local terms energy: -76.752318 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -21.372 flat angles C4'-P-C4' energy: -21.801 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -11.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -397.186047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.186047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.186047 (E_RNA) where: Base-Base interactions energy: -262.657 where: short stacking energy: -115.132 Base-Backbone interact. energy: -2.200 local terms energy: -132.328401 where: bonds (distance) C4'-P energy: -25.317 bonds (distance) P-C4' energy: -26.927 flat angles C4'-P-C4' energy: -24.765 flat angles P-C4'-P energy: -19.535 tors. eta vs tors. theta energy: -35.785 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: 2, replica: 2 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -376.310891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.310891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.310891 (E_RNA) where: Base-Base interactions energy: -253.714 where: short stacking energy: -114.932 Base-Backbone interact. energy: -0.396 local terms energy: -122.200765 where: bonds (distance) C4'-P energy: -21.947 bonds (distance) P-C4' energy: -28.823 flat angles C4'-P-C4' energy: -23.301 flat angles P-C4'-P energy: -17.951 tors. eta vs tors. theta energy: -30.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -378.205384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.205384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.205384 (E_RNA) where: Base-Base interactions energy: -256.242 where: short stacking energy: -108.462 Base-Backbone interact. energy: -0.191 local terms energy: -121.771725 where: bonds (distance) C4'-P energy: -21.599 bonds (distance) P-C4' energy: -26.520 flat angles C4'-P-C4' energy: -22.686 flat angles P-C4'-P energy: -18.363 tors. eta vs tors. theta energy: -32.604 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: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -364.869664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.869664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.869664 (E_RNA) where: Base-Base interactions energy: -245.345 where: short stacking energy: -117.229 Base-Backbone interact. energy: -0.541 local terms energy: -118.983402 where: bonds (distance) C4'-P energy: -22.032 bonds (distance) P-C4' energy: -20.498 flat angles C4'-P-C4' energy: -25.549 flat angles P-C4'-P energy: -16.908 tors. eta vs tors. theta energy: -33.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -302.670447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.670447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.670447 (E_RNA) where: Base-Base interactions energy: -200.747 where: short stacking energy: -86.884 Base-Backbone interact. energy: -0.080 local terms energy: -101.843841 where: bonds (distance) C4'-P energy: -23.900 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -25.629 flat angles P-C4'-P energy: -16.214 tors. eta vs tors. theta energy: -22.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -329.354398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.354398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.354398 (E_RNA) where: Base-Base interactions energy: -222.368 where: short stacking energy: -93.429 Base-Backbone interact. energy: -0.259 local terms energy: -106.727645 where: bonds (distance) C4'-P energy: -19.844 bonds (distance) P-C4' energy: -24.202 flat angles C4'-P-C4' energy: -21.233 flat angles P-C4'-P energy: -16.495 tors. eta vs tors. theta energy: -24.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -242.485747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.485747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.485747 (E_RNA) where: Base-Base interactions energy: -150.714 where: short stacking energy: -65.129 Base-Backbone interact. energy: -0.363 local terms energy: -91.408050 where: bonds (distance) C4'-P energy: -25.105 bonds (distance) P-C4' energy: -20.379 flat angles C4'-P-C4' energy: -22.176 flat angles P-C4'-P energy: -15.627 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -201.134002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.134002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.134002 (E_RNA) where: Base-Base interactions energy: -113.574 where: short stacking energy: -55.704 Base-Backbone interact. energy: -0.430 local terms energy: -87.129478 where: bonds (distance) C4'-P energy: -17.837 bonds (distance) P-C4' energy: -23.133 flat angles C4'-P-C4' energy: -20.416 flat angles P-C4'-P energy: -13.826 tors. eta vs tors. theta energy: -11.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -218.216275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.216275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.216275 (E_RNA) where: Base-Base interactions energy: -140.606 where: short stacking energy: -65.084 Base-Backbone interact. energy: 0.995 local terms energy: -78.604737 where: bonds (distance) C4'-P energy: -21.234 bonds (distance) P-C4' energy: -21.094 flat angles C4'-P-C4' energy: -20.428 flat angles P-C4'-P energy: -12.221 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: 10, replica: 6 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -168.714649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.714649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.714649 (E_RNA) where: Base-Base interactions energy: -102.037 where: short stacking energy: -49.990 Base-Backbone interact. energy: -0.375 local terms energy: -66.302528 where: bonds (distance) C4'-P energy: -15.646 bonds (distance) P-C4' energy: -18.132 flat angles C4'-P-C4' energy: -18.608 flat angles P-C4'-P energy: -14.509 tors. eta vs tors. theta energy: 0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -385.802228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.802228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.802228 (E_RNA) where: Base-Base interactions energy: -259.836 where: short stacking energy: -107.686 Base-Backbone interact. energy: -0.699 local terms energy: -125.267165 where: bonds (distance) C4'-P energy: -19.884 bonds (distance) P-C4' energy: -27.388 flat angles C4'-P-C4' energy: -26.135 flat angles P-C4'-P energy: -20.107 tors. eta vs tors. theta energy: -31.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -365.532066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.532066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.532066 (E_RNA) where: Base-Base interactions energy: -242.888 where: short stacking energy: -103.818 Base-Backbone interact. energy: -0.246 local terms energy: -122.398761 where: bonds (distance) C4'-P energy: -25.839 bonds (distance) P-C4' energy: -25.112 flat angles C4'-P-C4' energy: -24.706 flat angles P-C4'-P energy: -17.439 tors. eta vs tors. theta energy: -29.302 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: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -378.958074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.958074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.958074 (E_RNA) where: Base-Base interactions energy: -256.189 where: short stacking energy: -108.424 Base-Backbone interact. energy: -0.362 local terms energy: -122.407545 where: bonds (distance) C4'-P energy: -23.612 bonds (distance) P-C4' energy: -24.114 flat angles C4'-P-C4' energy: -24.463 flat angles P-C4'-P energy: -17.064 tors. eta vs tors. theta energy: -33.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -349.644968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.644968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.644968 (E_RNA) where: Base-Base interactions energy: -233.621 where: short stacking energy: -106.904 Base-Backbone interact. energy: -1.999 local terms energy: -114.024190 where: bonds (distance) C4'-P energy: -22.861 bonds (distance) P-C4' energy: -22.097 flat angles C4'-P-C4' energy: -23.210 flat angles P-C4'-P energy: -12.599 tors. eta vs tors. theta energy: -33.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -314.416769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.416769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.416769 (E_RNA) where: Base-Base interactions energy: -196.240 where: short stacking energy: -98.926 Base-Backbone interact. energy: -1.080 local terms energy: -117.097407 where: bonds (distance) C4'-P energy: -23.930 bonds (distance) P-C4' energy: -21.621 flat angles C4'-P-C4' energy: -26.221 flat angles P-C4'-P energy: -19.179 tors. eta vs tors. theta energy: -26.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -339.439754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.439754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.439754 (E_RNA) where: Base-Base interactions energy: -238.625 where: short stacking energy: -99.263 Base-Backbone interact. energy: -0.210 local terms energy: -100.605220 where: bonds (distance) C4'-P energy: -16.234 bonds (distance) P-C4' energy: -17.940 flat angles C4'-P-C4' energy: -22.201 flat angles P-C4'-P energy: -17.796 tors. eta vs tors. theta energy: -26.435 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: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -254.264541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.264541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.264541 (E_RNA) where: Base-Base interactions energy: -155.752 where: short stacking energy: -67.665 Base-Backbone interact. energy: -0.509 local terms energy: -98.002792 where: bonds (distance) C4'-P energy: -25.378 bonds (distance) P-C4' energy: -21.288 flat angles C4'-P-C4' energy: -21.768 flat angles P-C4'-P energy: -17.246 tors. eta vs tors. theta energy: -12.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -204.916541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.916541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.916541 (E_RNA) where: Base-Base interactions energy: -137.739 where: short stacking energy: -61.946 Base-Backbone interact. energy: 1.430 local terms energy: -68.607153 where: bonds (distance) C4'-P energy: -19.066 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -177.203142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.203142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.203142 (E_RNA) where: Base-Base interactions energy: -105.672 where: short stacking energy: -48.857 Base-Backbone interact. energy: -0.275 local terms energy: -71.255811 where: bonds (distance) C4'-P energy: -20.117 bonds (distance) P-C4' energy: -18.400 flat angles C4'-P-C4' energy: -18.801 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -198.760859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.760859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.760859 (E_RNA) where: Base-Base interactions energy: -104.030 where: short stacking energy: -52.032 Base-Backbone interact. energy: -1.080 local terms energy: -93.650720 where: bonds (distance) C4'-P energy: -23.647 bonds (distance) P-C4' energy: -20.935 flat angles C4'-P-C4' energy: -22.555 flat angles P-C4'-P energy: -13.427 tors. eta vs tors. theta energy: -13.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -401.394650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.394650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.394650 (E_RNA) where: Base-Base interactions energy: -281.446 where: short stacking energy: -112.003 Base-Backbone interact. energy: -0.081 local terms energy: -119.867509 where: bonds (distance) C4'-P energy: -26.879 bonds (distance) P-C4' energy: -24.590 flat angles C4'-P-C4' energy: -22.457 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -33.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -377.130308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.130308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.130308 (E_RNA) where: Base-Base interactions energy: -265.499 where: short stacking energy: -118.135 Base-Backbone interact. energy: -0.136 local terms energy: -111.495801 where: bonds (distance) C4'-P energy: -19.747 bonds (distance) P-C4' energy: -22.735 flat angles C4'-P-C4' energy: -24.147 flat angles P-C4'-P energy: -15.185 tors. eta vs tors. theta energy: -29.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -336.610566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.610566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.610566 (E_RNA) where: Base-Base interactions energy: -222.144 where: short stacking energy: -116.730 Base-Backbone interact. energy: -0.428 local terms energy: -114.038706 where: bonds (distance) C4'-P energy: -16.457 bonds (distance) P-C4' energy: -26.131 flat angles C4'-P-C4' energy: -27.039 flat angles P-C4'-P energy: -14.256 tors. eta vs tors. theta energy: -30.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -345.822301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.822301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.822301 (E_RNA) where: Base-Base interactions energy: -230.584 where: short stacking energy: -110.138 Base-Backbone interact. energy: -0.964 local terms energy: -114.274518 where: bonds (distance) C4'-P energy: -21.654 bonds (distance) P-C4' energy: -23.503 flat angles C4'-P-C4' energy: -25.188 flat angles P-C4'-P energy: -16.063 tors. eta vs tors. theta energy: -27.867 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: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -347.870084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.870084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.870084 (E_RNA) where: Base-Base interactions energy: -240.387 where: short stacking energy: -104.705 Base-Backbone interact. energy: -1.375 local terms energy: -106.108147 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -20.805 flat angles C4'-P-C4' energy: -22.239 flat angles P-C4'-P energy: -19.125 tors. eta vs tors. theta energy: -29.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -325.841859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.841859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.841859 (E_RNA) where: Base-Base interactions energy: -209.616 where: short stacking energy: -93.482 Base-Backbone interact. energy: -0.023 local terms energy: -116.203093 where: bonds (distance) C4'-P energy: -23.534 bonds (distance) P-C4' energy: -24.617 flat angles C4'-P-C4' energy: -23.717 flat angles P-C4'-P energy: -14.012 tors. eta vs tors. theta energy: -30.324 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: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -232.109245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.109245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.109245 (E_RNA) where: Base-Base interactions energy: -147.766 where: short stacking energy: -60.956 Base-Backbone interact. energy: 4.988 local terms energy: -89.331920 where: bonds (distance) C4'-P energy: -26.284 bonds (distance) P-C4' energy: -24.551 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -19.179 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: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -238.843998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.843998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.843998 (E_RNA) where: Base-Base interactions energy: -149.382 where: short stacking energy: -75.806 Base-Backbone interact. energy: -0.181 local terms energy: -89.281178 where: bonds (distance) C4'-P energy: -20.202 bonds (distance) P-C4' energy: -21.374 flat angles C4'-P-C4' energy: -19.399 flat angles P-C4'-P energy: -13.021 tors. eta vs tors. theta energy: -15.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -186.050191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.050191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.050191 (E_RNA) where: Base-Base interactions energy: -102.928 where: short stacking energy: -59.563 Base-Backbone interact. energy: -0.152 local terms energy: -82.970708 where: bonds (distance) C4'-P energy: -20.807 bonds (distance) P-C4' energy: -18.271 flat angles C4'-P-C4' energy: -18.902 flat angles P-C4'-P energy: -15.329 tors. eta vs tors. theta energy: -9.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -214.937500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.937500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.937500 (E_RNA) where: Base-Base interactions energy: -132.410 where: short stacking energy: -54.959 Base-Backbone interact. energy: 0.110 local terms energy: -82.637309 where: bonds (distance) C4'-P energy: -24.311 bonds (distance) P-C4' energy: -20.774 flat angles C4'-P-C4' energy: -24.207 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -3.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -414.840879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.840879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.840879 (E_RNA) where: Base-Base interactions energy: -299.472 where: short stacking energy: -111.015 Base-Backbone interact. energy: -0.656 local terms energy: -114.713075 where: bonds (distance) C4'-P energy: -23.391 bonds (distance) P-C4' energy: -23.133 flat angles C4'-P-C4' energy: -24.493 flat angles P-C4'-P energy: -13.464 tors. eta vs tors. theta energy: -30.233 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: 2 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -363.199291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.199291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.199291 (E_RNA) where: Base-Base interactions energy: -251.629 where: short stacking energy: -106.620 Base-Backbone interact. energy: -0.579 local terms energy: -110.991794 where: bonds (distance) C4'-P energy: -23.929 bonds (distance) P-C4' energy: -24.744 flat angles C4'-P-C4' energy: -23.180 flat angles P-C4'-P energy: -14.805 tors. eta vs tors. theta energy: -24.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -360.042137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.042137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.042137 (E_RNA) where: Base-Base interactions energy: -232.277 where: short stacking energy: -110.298 Base-Backbone interact. energy: -1.339 local terms energy: -126.426120 where: bonds (distance) C4'-P energy: -20.639 bonds (distance) P-C4' energy: -23.797 flat angles C4'-P-C4' energy: -28.528 flat angles P-C4'-P energy: -18.353 tors. eta vs tors. theta energy: -35.109 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: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -354.608384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.608384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.608384 (E_RNA) where: Base-Base interactions energy: -238.375 where: short stacking energy: -100.730 Base-Backbone interact. energy: -0.426 local terms energy: -115.807179 where: bonds (distance) C4'-P energy: -22.107 bonds (distance) P-C4' energy: -23.152 flat angles C4'-P-C4' energy: -23.378 flat angles P-C4'-P energy: -14.110 tors. eta vs tors. theta energy: -33.060 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: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -352.615509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.615509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.615509 (E_RNA) where: Base-Base interactions energy: -243.629 where: short stacking energy: -94.905 Base-Backbone interact. energy: -0.311 local terms energy: -108.675995 where: bonds (distance) C4'-P energy: -21.411 bonds (distance) P-C4' energy: -21.097 flat angles C4'-P-C4' energy: -21.358 flat angles P-C4'-P energy: -17.717 tors. eta vs tors. theta energy: -27.093 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: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -292.615886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.615886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.615886 (E_RNA) where: Base-Base interactions energy: -189.012 where: short stacking energy: -92.420 Base-Backbone interact. energy: -0.515 local terms energy: -103.088944 where: bonds (distance) C4'-P energy: -20.422 bonds (distance) P-C4' energy: -21.439 flat angles C4'-P-C4' energy: -24.851 flat angles P-C4'-P energy: -11.098 tors. eta vs tors. theta energy: -25.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -242.271592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.271592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.271592 (E_RNA) where: Base-Base interactions energy: -145.313 where: short stacking energy: -68.179 Base-Backbone interact. energy: -0.786 local terms energy: -96.172456 where: bonds (distance) C4'-P energy: -27.830 bonds (distance) P-C4' energy: -17.894 flat angles C4'-P-C4' energy: -25.596 flat angles P-C4'-P energy: -13.606 tors. eta vs tors. theta energy: -11.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -235.733614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.733614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.733614 (E_RNA) where: Base-Base interactions energy: -145.360 where: short stacking energy: -74.268 Base-Backbone interact. energy: 1.062 local terms energy: -91.435372 where: bonds (distance) C4'-P energy: -19.321 bonds (distance) P-C4' energy: -23.306 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -16.732 tors. eta vs tors. theta energy: -16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -182.995362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.995362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.995362 (E_RNA) where: Base-Base interactions energy: -97.499 where: short stacking energy: -53.260 Base-Backbone interact. energy: 1.199 local terms energy: -86.695235 where: bonds (distance) C4'-P energy: -26.977 bonds (distance) P-C4' energy: -18.144 flat angles C4'-P-C4' energy: -21.648 flat angles P-C4'-P energy: -15.541 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -220.314703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.314703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.314703 (E_RNA) where: Base-Base interactions energy: -143.279 where: short stacking energy: -67.876 Base-Backbone interact. energy: -0.174 local terms energy: -76.862066 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -20.937 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -12.780 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -404.507027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.507027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.507027 (E_RNA) where: Base-Base interactions energy: -288.132 where: short stacking energy: -117.868 Base-Backbone interact. energy: -0.339 local terms energy: -116.035735 where: bonds (distance) C4'-P energy: -25.607 bonds (distance) P-C4' energy: -21.367 flat angles C4'-P-C4' energy: -20.672 flat angles P-C4'-P energy: -14.886 tors. eta vs tors. theta energy: -33.504 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: 2 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -375.290494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.290494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.290494 (E_RNA) where: Base-Base interactions energy: -252.651 where: short stacking energy: -103.905 Base-Backbone interact. energy: -0.698 local terms energy: -121.941849 where: bonds (distance) C4'-P energy: -22.729 bonds (distance) P-C4' energy: -26.733 flat angles C4'-P-C4' energy: -25.238 flat angles P-C4'-P energy: -15.156 tors. eta vs tors. theta energy: -32.086 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: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -365.114705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.114705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.114705 (E_RNA) where: Base-Base interactions energy: -243.240 where: short stacking energy: -110.605 Base-Backbone interact. energy: -2.191 local terms energy: -119.684364 where: bonds (distance) C4'-P energy: -26.524 bonds (distance) P-C4' energy: -24.260 flat angles C4'-P-C4' energy: -20.637 flat angles P-C4'-P energy: -12.642 tors. eta vs tors. theta energy: -35.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -365.421506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.421506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.421506 (E_RNA) where: Base-Base interactions energy: -249.941 where: short stacking energy: -111.264 Base-Backbone interact. energy: 0.077 local terms energy: -115.556893 where: bonds (distance) C4'-P energy: -24.246 bonds (distance) P-C4' energy: -26.478 flat angles C4'-P-C4' energy: -18.519 flat angles P-C4'-P energy: -16.426 tors. eta vs tors. theta energy: -29.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -353.127569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.127569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.127569 (E_RNA) where: Base-Base interactions energy: -234.535 where: short stacking energy: -91.181 Base-Backbone interact. energy: -1.639 local terms energy: -116.953330 where: bonds (distance) C4'-P energy: -26.844 bonds (distance) P-C4' energy: -22.508 flat angles C4'-P-C4' energy: -21.761 flat angles P-C4'-P energy: -19.564 tors. eta vs tors. theta energy: -26.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -307.892058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.892058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.892058 (E_RNA) where: Base-Base interactions energy: -201.689 where: short stacking energy: -100.313 Base-Backbone interact. energy: -0.143 local terms energy: -106.060104 where: bonds (distance) C4'-P energy: -18.000 bonds (distance) P-C4' energy: -23.712 flat angles C4'-P-C4' energy: -21.870 flat angles P-C4'-P energy: -16.092 tors. eta vs tors. theta energy: -26.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -245.521373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.521373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.521373 (E_RNA) where: Base-Base interactions energy: -159.415 where: short stacking energy: -80.711 Base-Backbone interact. energy: -0.680 local terms energy: -85.426966 where: bonds (distance) C4'-P energy: -19.848 bonds (distance) P-C4' energy: -17.631 flat angles C4'-P-C4' energy: -21.824 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -14.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -220.254033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.254033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.254033 (E_RNA) where: Base-Base interactions energy: -138.669 where: short stacking energy: -57.274 Base-Backbone interact. energy: 0.255 local terms energy: -81.840284 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -23.246 flat angles C4'-P-C4' energy: -21.697 flat angles P-C4'-P energy: -12.993 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: 9, replica: 6 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -226.351710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.351710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.351710 (E_RNA) where: Base-Base interactions energy: -136.200 where: short stacking energy: -61.028 Base-Backbone interact. energy: -0.009 local terms energy: -90.142472 where: bonds (distance) C4'-P energy: -26.197 bonds (distance) P-C4' energy: -20.874 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -12.820 tors. eta vs tors. theta energy: -13.666 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: 166 Temperature: 1.350000 Total energy: -161.953286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.953286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.953286 (E_RNA) where: Base-Base interactions energy: -84.380 where: short stacking energy: -39.470 Base-Backbone interact. energy: -1.038 local terms energy: -76.534787 where: bonds (distance) C4'-P energy: -22.799 bonds (distance) P-C4' energy: -22.697 flat angles C4'-P-C4' energy: -17.148 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -401.967603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.967603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.967603 (E_RNA) where: Base-Base interactions energy: -290.262 where: short stacking energy: -113.295 Base-Backbone interact. energy: -0.312 local terms energy: -111.393405 where: bonds (distance) C4'-P energy: -25.655 bonds (distance) P-C4' energy: -20.134 flat angles C4'-P-C4' energy: -26.499 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -28.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -399.713401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.713401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.713401 (E_RNA) where: Base-Base interactions energy: -278.523 where: short stacking energy: -113.637 Base-Backbone interact. energy: -0.395 local terms energy: -120.795501 where: bonds (distance) C4'-P energy: -20.870 bonds (distance) P-C4' energy: -23.766 flat angles C4'-P-C4' energy: -23.961 flat angles P-C4'-P energy: -19.216 tors. eta vs tors. theta energy: -32.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -360.848487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.848487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.848487 (E_RNA) where: Base-Base interactions energy: -230.707 where: short stacking energy: -124.562 Base-Backbone interact. energy: -0.001 local terms energy: -130.139567 where: bonds (distance) C4'-P energy: -25.141 bonds (distance) P-C4' energy: -28.150 flat angles C4'-P-C4' energy: -25.419 flat angles P-C4'-P energy: -12.993 tors. eta vs tors. theta energy: -38.437 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: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -353.574516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.574516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.574516 (E_RNA) where: Base-Base interactions energy: -241.659 where: short stacking energy: -98.513 Base-Backbone interact. energy: -0.538 local terms energy: -111.377416 where: bonds (distance) C4'-P energy: -23.567 bonds (distance) P-C4' energy: -21.215 flat angles C4'-P-C4' energy: -26.644 flat angles P-C4'-P energy: -12.147 tors. eta vs tors. theta energy: -27.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -357.933968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.933968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.933968 (E_RNA) where: Base-Base interactions energy: -234.151 where: short stacking energy: -108.366 Base-Backbone interact. energy: -1.403 local terms energy: -122.380476 where: bonds (distance) C4'-P energy: -21.966 bonds (distance) P-C4' energy: -23.818 flat angles C4'-P-C4' energy: -26.787 flat angles P-C4'-P energy: -14.089 tors. eta vs tors. theta energy: -35.720 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: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -307.301315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.301315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.301315 (E_RNA) where: Base-Base interactions energy: -204.620 where: short stacking energy: -91.988 Base-Backbone interact. energy: -0.791 local terms energy: -101.890639 where: bonds (distance) C4'-P energy: -23.937 bonds (distance) P-C4' energy: -19.902 flat angles C4'-P-C4' energy: -21.327 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -26.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -258.983998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.983998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.983998 (E_RNA) where: Base-Base interactions energy: -162.892 where: short stacking energy: -83.523 Base-Backbone interact. energy: -0.405 local terms energy: -95.686895 where: bonds (distance) C4'-P energy: -16.508 bonds (distance) P-C4' energy: -20.966 flat angles C4'-P-C4' energy: -20.167 flat angles P-C4'-P energy: -14.676 tors. eta vs tors. theta energy: -23.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -227.712409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.712409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.712409 (E_RNA) where: Base-Base interactions energy: -126.356 where: short stacking energy: -56.634 Base-Backbone interact. energy: -0.230 local terms energy: -101.126693 where: bonds (distance) C4'-P energy: -22.447 bonds (distance) P-C4' energy: -25.278 flat angles C4'-P-C4' energy: -17.343 flat angles P-C4'-P energy: -15.832 tors. eta vs tors. theta energy: -20.226 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: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -235.499201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.499201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.499201 (E_RNA) where: Base-Base interactions energy: -151.700 where: short stacking energy: -68.761 Base-Backbone interact. energy: -0.248 local terms energy: -83.550662 where: bonds (distance) C4'-P energy: -18.419 bonds (distance) P-C4' energy: -20.224 flat angles C4'-P-C4' energy: -25.471 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -8.825 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: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -159.290564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.290564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.290564 (E_RNA) where: Base-Base interactions energy: -89.800 where: short stacking energy: -52.325 Base-Backbone interact. energy: 0.706 local terms energy: -70.196712 where: bonds (distance) C4'-P energy: -21.341 bonds (distance) P-C4' energy: -11.084 flat angles C4'-P-C4' energy: -21.301 flat angles P-C4'-P energy: -10.251 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: 1, replica: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -397.164343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.164343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.164343 (E_RNA) where: Base-Base interactions energy: -275.183 where: short stacking energy: -111.877 Base-Backbone interact. energy: -1.171 local terms energy: -120.810024 where: bonds (distance) C4'-P energy: -23.421 bonds (distance) P-C4' energy: -22.305 flat angles C4'-P-C4' energy: -26.269 flat angles P-C4'-P energy: -17.716 tors. eta vs tors. theta energy: -31.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -390.567617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.567617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.567617 (E_RNA) where: Base-Base interactions energy: -262.192 where: short stacking energy: -111.424 Base-Backbone interact. energy: 0.494 local terms energy: -128.869657 where: bonds (distance) C4'-P energy: -24.795 bonds (distance) P-C4' energy: -24.664 flat angles C4'-P-C4' energy: -29.736 flat angles P-C4'-P energy: -19.624 tors. eta vs tors. theta energy: -30.050 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: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -354.367815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.367815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.367815 (E_RNA) where: Base-Base interactions energy: -229.860 where: short stacking energy: -112.355 Base-Backbone interact. energy: -0.339 local terms energy: -124.168773 where: bonds (distance) C4'-P energy: -20.608 bonds (distance) P-C4' energy: -23.130 flat angles C4'-P-C4' energy: -28.203 flat angles P-C4'-P energy: -15.206 tors. eta vs tors. theta energy: -37.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -353.905390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.905390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.905390 (E_RNA) where: Base-Base interactions energy: -227.492 where: short stacking energy: -108.538 Base-Backbone interact. energy: 0.077 local terms energy: -126.489884 where: bonds (distance) C4'-P energy: -19.891 bonds (distance) P-C4' energy: -26.643 flat angles C4'-P-C4' energy: -29.381 flat angles P-C4'-P energy: -17.834 tors. eta vs tors. theta energy: -32.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -357.262883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.262883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.262883 (E_RNA) where: Base-Base interactions energy: -250.368 where: short stacking energy: -105.848 Base-Backbone interact. energy: -0.348 local terms energy: -106.547636 where: bonds (distance) C4'-P energy: -19.522 bonds (distance) P-C4' energy: -25.038 flat angles C4'-P-C4' energy: -20.308 flat angles P-C4'-P energy: -12.995 tors. eta vs tors. theta energy: -28.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -301.022553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.022553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.022553 (E_RNA) where: Base-Base interactions energy: -199.383 where: short stacking energy: -89.258 Base-Backbone interact. energy: 0.221 local terms energy: -101.860650 where: bonds (distance) C4'-P energy: -19.499 bonds (distance) P-C4' energy: -23.010 flat angles C4'-P-C4' energy: -20.397 flat angles P-C4'-P energy: -15.461 tors. eta vs tors. theta energy: -23.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -239.662040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.662040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.662040 (E_RNA) where: Base-Base interactions energy: -145.213 where: short stacking energy: -67.115 Base-Backbone interact. energy: -0.381 local terms energy: -94.067843 where: bonds (distance) C4'-P energy: -21.019 bonds (distance) P-C4' energy: -23.144 flat angles C4'-P-C4' energy: -23.503 flat angles P-C4'-P energy: -14.533 tors. eta vs tors. theta energy: -11.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -238.938760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.938760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.938760 (E_RNA) where: Base-Base interactions energy: -153.148 where: short stacking energy: -69.698 Base-Backbone interact. energy: -0.812 local terms energy: -84.979483 where: bonds (distance) C4'-P energy: -18.968 bonds (distance) P-C4' energy: -22.667 flat angles C4'-P-C4' energy: -18.435 flat angles P-C4'-P energy: -12.504 tors. eta vs tors. theta energy: -12.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -243.576656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.576656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.576656 (E_RNA) where: Base-Base interactions energy: -145.870 where: short stacking energy: -65.034 Base-Backbone interact. energy: -1.665 local terms energy: -96.041302 where: bonds (distance) C4'-P energy: -18.310 bonds (distance) P-C4' energy: -21.574 flat angles C4'-P-C4' energy: -24.483 flat angles P-C4'-P energy: -17.360 tors. eta vs tors. theta energy: -14.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -120.760693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.760693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.760693 (E_RNA) where: Base-Base interactions energy: -44.401 where: short stacking energy: -43.127 Base-Backbone interact. energy: 0.286 local terms energy: -76.645646 where: bonds (distance) C4'-P energy: -19.724 bonds (distance) P-C4' energy: -21.349 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -11.268 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: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -412.261547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.261547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.261547 (E_RNA) where: Base-Base interactions energy: -284.225 where: short stacking energy: -121.803 Base-Backbone interact. energy: -0.051 local terms energy: -127.985274 where: bonds (distance) C4'-P energy: -27.418 bonds (distance) P-C4' energy: -21.152 flat angles C4'-P-C4' energy: -22.721 flat angles P-C4'-P energy: -24.464 tors. eta vs tors. theta energy: -32.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -376.380942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.380942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.380942 (E_RNA) where: Base-Base interactions energy: -259.506 where: short stacking energy: -116.176 Base-Backbone interact. energy: -0.320 local terms energy: -116.555106 where: bonds (distance) C4'-P energy: -22.580 bonds (distance) P-C4' energy: -25.992 flat angles C4'-P-C4' energy: -24.370 flat angles P-C4'-P energy: -10.966 tors. eta vs tors. theta energy: -32.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -353.657911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.657911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.657911 (E_RNA) where: Base-Base interactions energy: -237.453 where: short stacking energy: -121.381 Base-Backbone interact. energy: -0.351 local terms energy: -115.854501 where: bonds (distance) C4'-P energy: -24.169 bonds (distance) P-C4' energy: -22.725 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -14.407 tors. eta vs tors. theta energy: -36.846 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: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -355.642294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.642294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.642294 (E_RNA) where: Base-Base interactions energy: -231.216 where: short stacking energy: -105.302 Base-Backbone interact. energy: -0.214 local terms energy: -124.212047 where: bonds (distance) C4'-P energy: -19.997 bonds (distance) P-C4' energy: -25.569 flat angles C4'-P-C4' energy: -24.900 flat angles P-C4'-P energy: -19.977 tors. eta vs tors. theta energy: -33.769 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: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -336.605898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.605898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.605898 (E_RNA) where: Base-Base interactions energy: -237.289 where: short stacking energy: -100.296 Base-Backbone interact. energy: -0.630 local terms energy: -98.686961 where: bonds (distance) C4'-P energy: -21.292 bonds (distance) P-C4' energy: -24.136 flat angles C4'-P-C4' energy: -18.288 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -26.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -311.148026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.148026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.148026 (E_RNA) where: Base-Base interactions energy: -200.416 where: short stacking energy: -92.603 Base-Backbone interact. energy: -0.071 local terms energy: -110.661014 where: bonds (distance) C4'-P energy: -19.611 bonds (distance) P-C4' energy: -21.003 flat angles C4'-P-C4' energy: -22.968 flat angles P-C4'-P energy: -19.809 tors. eta vs tors. theta energy: -27.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -232.007323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.007323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.007323 (E_RNA) where: Base-Base interactions energy: -146.167 where: short stacking energy: -63.729 Base-Backbone interact. energy: -0.870 local terms energy: -84.970057 where: bonds (distance) C4'-P energy: -22.593 bonds (distance) P-C4' energy: -27.291 flat angles C4'-P-C4' energy: -17.031 flat angles P-C4'-P energy: -10.237 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: 8, replica: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -249.112140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.112140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.112140 (E_RNA) where: Base-Base interactions energy: -151.221 where: short stacking energy: -66.074 Base-Backbone interact. energy: 0.490 local terms energy: -98.381254 where: bonds (distance) C4'-P energy: -21.779 bonds (distance) P-C4' energy: -22.425 flat angles C4'-P-C4' energy: -23.707 flat angles P-C4'-P energy: -18.414 tors. eta vs tors. theta energy: -12.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -246.800982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.800982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.800982 (E_RNA) where: Base-Base interactions energy: -152.884 where: short stacking energy: -71.673 Base-Backbone interact. energy: 1.262 local terms energy: -95.179311 where: bonds (distance) C4'-P energy: -19.144 bonds (distance) P-C4' energy: -20.866 flat angles C4'-P-C4' energy: -23.266 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -119.504145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.504145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.504145 (E_RNA) where: Base-Base interactions energy: -39.868 where: short stacking energy: -34.070 Base-Backbone interact. energy: 0.437 local terms energy: -80.073401 where: bonds (distance) C4'-P energy: -22.778 bonds (distance) P-C4' energy: -27.323 flat angles C4'-P-C4' energy: -21.421 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: 2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -415.323360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.323360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.323360 (E_RNA) where: Base-Base interactions energy: -286.924 where: short stacking energy: -118.707 Base-Backbone interact. energy: -0.424 local terms energy: -127.975519 where: bonds (distance) C4'-P energy: -25.359 bonds (distance) P-C4' energy: -24.359 flat angles C4'-P-C4' energy: -26.636 flat angles P-C4'-P energy: -19.424 tors. eta vs tors. theta energy: -32.198 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: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -379.612158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.612158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.612158 (E_RNA) where: Base-Base interactions energy: -254.863 where: short stacking energy: -111.552 Base-Backbone interact. energy: -0.750 local terms energy: -123.999516 where: bonds (distance) C4'-P energy: -25.092 bonds (distance) P-C4' energy: -23.865 flat angles C4'-P-C4' energy: -25.169 flat angles P-C4'-P energy: -16.745 tors. eta vs tors. theta energy: -33.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -363.018797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.018797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.018797 (E_RNA) where: Base-Base interactions energy: -247.119 where: short stacking energy: -112.214 Base-Backbone interact. energy: -0.013 local terms energy: -115.887029 where: bonds (distance) C4'-P energy: -21.923 bonds (distance) P-C4' energy: -22.220 flat angles C4'-P-C4' energy: -23.717 flat angles P-C4'-P energy: -19.038 tors. eta vs tors. theta energy: -28.990 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: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -343.819730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.819730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.819730 (E_RNA) where: Base-Base interactions energy: -227.750 where: short stacking energy: -111.976 Base-Backbone interact. energy: -0.573 local terms energy: -115.496975 where: bonds (distance) C4'-P energy: -18.872 bonds (distance) P-C4' energy: -20.536 flat angles C4'-P-C4' energy: -27.995 flat angles P-C4'-P energy: -16.468 tors. eta vs tors. theta energy: -31.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -323.428212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.428212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.428212 (E_RNA) where: Base-Base interactions energy: -209.318 where: short stacking energy: -87.716 Base-Backbone interact. energy: 0.284 local terms energy: -114.394305 where: bonds (distance) C4'-P energy: -22.314 bonds (distance) P-C4' energy: -24.531 flat angles C4'-P-C4' energy: -24.721 flat angles P-C4'-P energy: -17.320 tors. eta vs tors. theta energy: -25.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -330.129635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.129635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.129635 (E_RNA) where: Base-Base interactions energy: -225.207 where: short stacking energy: -93.885 Base-Backbone interact. energy: -0.504 local terms energy: -104.418972 where: bonds (distance) C4'-P energy: -22.224 bonds (distance) P-C4' energy: -19.675 flat angles C4'-P-C4' energy: -24.015 flat angles P-C4'-P energy: -17.733 tors. eta vs tors. theta energy: -20.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -224.869336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.869336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.869336 (E_RNA) where: Base-Base interactions energy: -143.362 where: short stacking energy: -64.448 Base-Backbone interact. energy: -0.616 local terms energy: -80.891787 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -21.481 flat angles C4'-P-C4' energy: -27.171 flat angles P-C4'-P energy: -15.396 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -258.699978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.699978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.699978 (E_RNA) where: Base-Base interactions energy: -160.989 where: short stacking energy: -78.582 Base-Backbone interact. energy: -0.279 local terms energy: -97.431317 where: bonds (distance) C4'-P energy: -27.692 bonds (distance) P-C4' energy: -25.594 flat angles C4'-P-C4' energy: -17.089 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -18.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -243.990171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.990171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.990171 (E_RNA) where: Base-Base interactions energy: -150.109 where: short stacking energy: -77.607 Base-Backbone interact. energy: -0.124 local terms energy: -93.756393 where: bonds (distance) C4'-P energy: -17.897 bonds (distance) P-C4' energy: -20.158 flat angles C4'-P-C4' energy: -22.821 flat angles P-C4'-P energy: -18.028 tors. eta vs tors. theta energy: -14.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -111.325483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.325483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.325483 (E_RNA) where: Base-Base interactions energy: -35.155 where: short stacking energy: -35.836 Base-Backbone interact. energy: -0.387 local terms energy: -75.783051 where: bonds (distance) C4'-P energy: -15.409 bonds (distance) P-C4' energy: -25.422 flat angles C4'-P-C4' energy: -19.684 flat angles P-C4'-P energy: -14.699 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -408.468263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.468263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.468263 (E_RNA) where: Base-Base interactions energy: -274.734 where: short stacking energy: -119.633 Base-Backbone interact. energy: 0.020 local terms energy: -133.754078 where: bonds (distance) C4'-P energy: -22.522 bonds (distance) P-C4' energy: -21.693 flat angles C4'-P-C4' energy: -29.121 flat angles P-C4'-P energy: -23.027 tors. eta vs tors. theta energy: -37.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -378.410039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.410039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.410039 (E_RNA) where: Base-Base interactions energy: -251.051 where: short stacking energy: -105.500 Base-Backbone interact. energy: -0.063 local terms energy: -127.295505 where: bonds (distance) C4'-P energy: -23.662 bonds (distance) P-C4' energy: -26.888 flat angles C4'-P-C4' energy: -26.475 flat angles P-C4'-P energy: -20.589 tors. eta vs tors. theta energy: -29.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -372.760170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.760170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.760170 (E_RNA) where: Base-Base interactions energy: -262.384 where: short stacking energy: -111.582 Base-Backbone interact. energy: -0.059 local terms energy: -110.317561 where: bonds (distance) C4'-P energy: -23.921 bonds (distance) P-C4' energy: -19.468 flat angles C4'-P-C4' energy: -24.611 flat angles P-C4'-P energy: -10.974 tors. eta vs tors. theta energy: -31.343 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: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -340.699540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.699540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.699540 (E_RNA) where: Base-Base interactions energy: -228.863 where: short stacking energy: -109.117 Base-Backbone interact. energy: -1.491 local terms energy: -110.345360 where: bonds (distance) C4'-P energy: -19.728 bonds (distance) P-C4' energy: -17.983 flat angles C4'-P-C4' energy: -22.400 flat angles P-C4'-P energy: -16.909 tors. eta vs tors. theta energy: -33.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -319.282772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.282772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.282772 (E_RNA) where: Base-Base interactions energy: -210.483 where: short stacking energy: -110.699 Base-Backbone interact. energy: -0.269 local terms energy: -108.531129 where: bonds (distance) C4'-P energy: -23.251 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -26.264 flat angles P-C4'-P energy: -15.692 tors. eta vs tors. theta energy: -27.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -332.046340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.046340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.046340 (E_RNA) where: Base-Base interactions energy: -230.497 where: short stacking energy: -94.435 Base-Backbone interact. energy: -0.360 local terms energy: -101.189377 where: bonds (distance) C4'-P energy: -23.320 bonds (distance) P-C4' energy: -18.956 flat angles C4'-P-C4' energy: -17.326 flat angles P-C4'-P energy: -17.136 tors. eta vs tors. theta energy: -24.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -271.427608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.427608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.427608 (E_RNA) where: Base-Base interactions energy: -175.416 where: short stacking energy: -75.354 Base-Backbone interact. energy: 1.294 local terms energy: -97.305561 where: bonds (distance) C4'-P energy: -22.141 bonds (distance) P-C4' energy: -26.564 flat angles C4'-P-C4' energy: -22.367 flat angles P-C4'-P energy: -10.833 tors. eta vs tors. theta energy: -15.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -267.779843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.779843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.779843 (E_RNA) where: Base-Base interactions energy: -167.657 where: short stacking energy: -77.261 Base-Backbone interact. energy: -0.605 local terms energy: -99.517837 where: bonds (distance) C4'-P energy: -22.005 bonds (distance) P-C4' energy: -22.891 flat angles C4'-P-C4' energy: -19.971 flat angles P-C4'-P energy: -14.819 tors. eta vs tors. theta energy: -19.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -238.382127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.382127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.382127 (E_RNA) where: Base-Base interactions energy: -143.899 where: short stacking energy: -74.904 Base-Backbone interact. energy: 0.283 local terms energy: -94.766716 where: bonds (distance) C4'-P energy: -16.846 bonds (distance) P-C4' energy: -19.676 flat angles C4'-P-C4' energy: -21.990 flat angles P-C4'-P energy: -16.746 tors. eta vs tors. theta energy: -19.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -122.528151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.528151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.528151 (E_RNA) where: Base-Base interactions energy: -46.567 where: short stacking energy: -24.883 Base-Backbone interact. energy: -0.224 local terms energy: -75.737089 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -26.765 flat angles C4'-P-C4' energy: -16.831 flat angles P-C4'-P energy: -15.358 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -411.535427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.535427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.535427 (E_RNA) where: Base-Base interactions energy: -285.935 where: short stacking energy: -118.140 Base-Backbone interact. energy: -1.810 local terms energy: -123.790741 where: bonds (distance) C4'-P energy: -19.157 bonds (distance) P-C4' energy: -23.050 flat angles C4'-P-C4' energy: -27.971 flat angles P-C4'-P energy: -19.044 tors. eta vs tors. theta energy: -34.570 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: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -372.982673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.982673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.982673 (E_RNA) where: Base-Base interactions energy: -254.382 where: short stacking energy: -115.849 Base-Backbone interact. energy: -0.401 local terms energy: -118.199665 where: bonds (distance) C4'-P energy: -20.158 bonds (distance) P-C4' energy: -23.242 flat angles C4'-P-C4' energy: -25.152 flat angles P-C4'-P energy: -17.304 tors. eta vs tors. theta energy: -32.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -379.639940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.639940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.639940 (E_RNA) where: Base-Base interactions energy: -255.605 where: short stacking energy: -122.809 Base-Backbone interact. energy: -0.603 local terms energy: -123.431699 where: bonds (distance) C4'-P energy: -17.205 bonds (distance) P-C4' energy: -25.127 flat angles C4'-P-C4' energy: -25.466 flat angles P-C4'-P energy: -19.450 tors. eta vs tors. theta energy: -36.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -332.266189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.266189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.266189 (E_RNA) where: Base-Base interactions energy: -213.994 where: short stacking energy: -99.981 Base-Backbone interact. energy: -1.285 local terms energy: -116.987669 where: bonds (distance) C4'-P energy: -21.501 bonds (distance) P-C4' energy: -23.281 flat angles C4'-P-C4' energy: -22.631 flat angles P-C4'-P energy: -20.010 tors. eta vs tors. theta energy: -29.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -322.319486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.319486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.319486 (E_RNA) where: Base-Base interactions energy: -209.579 where: short stacking energy: -107.444 Base-Backbone interact. energy: -0.130 local terms energy: -112.611116 where: bonds (distance) C4'-P energy: -21.903 bonds (distance) P-C4' energy: -24.825 flat angles C4'-P-C4' energy: -19.129 flat angles P-C4'-P energy: -17.963 tors. eta vs tors. theta energy: -28.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -300.506290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.506290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.506290 (E_RNA) where: Base-Base interactions energy: -197.704 where: short stacking energy: -89.169 Base-Backbone interact. energy: -2.478 local terms energy: -100.323682 where: bonds (distance) C4'-P energy: -25.436 bonds (distance) P-C4' energy: -17.919 flat angles C4'-P-C4' energy: -20.896 flat angles P-C4'-P energy: -17.000 tors. eta vs tors. theta energy: -19.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -241.224165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.224165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.224165 (E_RNA) where: Base-Base interactions energy: -151.524 where: short stacking energy: -62.799 Base-Backbone interact. energy: 1.796 local terms energy: -91.495808 where: bonds (distance) C4'-P energy: -24.107 bonds (distance) P-C4' energy: -22.141 flat angles C4'-P-C4' energy: -19.838 flat angles P-C4'-P energy: -14.675 tors. eta vs tors. theta energy: -10.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -227.238687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.238687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.238687 (E_RNA) where: Base-Base interactions energy: -146.704 where: short stacking energy: -59.974 Base-Backbone interact. energy: -0.327 local terms energy: -80.208129 where: bonds (distance) C4'-P energy: -20.426 bonds (distance) P-C4' energy: -25.431 flat angles C4'-P-C4' energy: -15.373 flat angles P-C4'-P energy: -11.122 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: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -232.553130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.553130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.553130 (E_RNA) where: Base-Base interactions energy: -141.246 where: short stacking energy: -79.553 Base-Backbone interact. energy: 1.289 local terms energy: -92.596333 where: bonds (distance) C4'-P energy: -18.967 bonds (distance) P-C4' energy: -19.868 flat angles C4'-P-C4' energy: -20.924 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -23.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -119.164909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.164909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.164909 (E_RNA) where: Base-Base interactions energy: -41.930 where: short stacking energy: -34.270 Base-Backbone interact. energy: -0.554 local terms energy: -76.680996 where: bonds (distance) C4'-P energy: -15.722 bonds (distance) P-C4' energy: -24.184 flat angles C4'-P-C4' energy: -23.253 flat angles P-C4'-P energy: -15.480 tors. eta vs tors. theta energy: 1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -416.279465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.279465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.279465 (E_RNA) where: Base-Base interactions energy: -294.395 where: short stacking energy: -122.553 Base-Backbone interact. energy: -0.207 local terms energy: -121.678129 where: bonds (distance) C4'-P energy: -24.932 bonds (distance) P-C4' energy: -21.839 flat angles C4'-P-C4' energy: -23.871 flat angles P-C4'-P energy: -21.280 tors. eta vs tors. theta energy: -29.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -380.645895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.645895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.645895 (E_RNA) where: Base-Base interactions energy: -262.036 where: short stacking energy: -113.745 Base-Backbone interact. energy: -1.402 local terms energy: -117.208498 where: bonds (distance) C4'-P energy: -26.745 bonds (distance) P-C4' energy: -20.339 flat angles C4'-P-C4' energy: -25.663 flat angles P-C4'-P energy: -15.799 tors. eta vs tors. theta energy: -28.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -356.897534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.897534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.897534 (E_RNA) where: Base-Base interactions energy: -234.294 where: short stacking energy: -106.406 Base-Backbone interact. energy: -0.696 local terms energy: -121.907231 where: bonds (distance) C4'-P energy: -18.183 bonds (distance) P-C4' energy: -23.022 flat angles C4'-P-C4' energy: -29.877 flat angles P-C4'-P energy: -16.674 tors. eta vs tors. theta energy: -34.150 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: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -323.490216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.490216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.490216 (E_RNA) where: Base-Base interactions energy: -211.902 where: short stacking energy: -112.519 Base-Backbone interact. energy: -1.370 local terms energy: -110.218097 where: bonds (distance) C4'-P energy: -21.991 bonds (distance) P-C4' energy: -23.764 flat angles C4'-P-C4' energy: -16.561 flat angles P-C4'-P energy: -15.304 tors. eta vs tors. theta energy: -32.598 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: 173 Temperature: 1.100000 Total energy: -322.250713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.250713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.250713 (E_RNA) where: Base-Base interactions energy: -214.186 where: short stacking energy: -93.838 Base-Backbone interact. energy: -0.142 local terms energy: -107.922128 where: bonds (distance) C4'-P energy: -21.558 bonds (distance) P-C4' energy: -27.251 flat angles C4'-P-C4' energy: -21.914 flat angles P-C4'-P energy: -14.931 tors. eta vs tors. theta energy: -22.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -275.266503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.266503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.266503 (E_RNA) where: Base-Base interactions energy: -175.297 where: short stacking energy: -88.924 Base-Backbone interact. energy: -0.868 local terms energy: -99.101566 where: bonds (distance) C4'-P energy: -20.406 bonds (distance) P-C4' energy: -25.815 flat angles C4'-P-C4' energy: -20.357 flat angles P-C4'-P energy: -15.959 tors. eta vs tors. theta energy: -16.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -208.290809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.290809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.290809 (E_RNA) where: Base-Base interactions energy: -128.184 where: short stacking energy: -74.623 Base-Backbone interact. energy: 1.374 local terms energy: -81.481193 where: bonds (distance) C4'-P energy: -19.069 bonds (distance) P-C4' energy: -20.956 flat angles C4'-P-C4' energy: -20.022 flat angles P-C4'-P energy: -15.706 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -251.242776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.242776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.242776 (E_RNA) where: Base-Base interactions energy: -162.066 where: short stacking energy: -80.039 Base-Backbone interact. energy: -0.074 local terms energy: -89.101958 where: bonds (distance) C4'-P energy: -18.969 bonds (distance) P-C4' energy: -20.488 flat angles C4'-P-C4' energy: -19.720 flat angles P-C4'-P energy: -11.608 tors. eta vs tors. theta energy: -18.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -236.278541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.278541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.278541 (E_RNA) where: Base-Base interactions energy: -150.990 where: short stacking energy: -69.965 Base-Backbone interact. energy: -0.724 local terms energy: -84.565125 where: bonds (distance) C4'-P energy: -19.433 bonds (distance) P-C4' energy: -24.010 flat angles C4'-P-C4' energy: -19.618 flat angles P-C4'-P energy: -12.579 tors. eta vs tors. theta energy: -8.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -119.027776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.027776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.027776 (E_RNA) where: Base-Base interactions energy: -37.483 where: short stacking energy: -34.179 Base-Backbone interact. energy: -0.141 local terms energy: -81.404086 where: bonds (distance) C4'-P energy: -19.154 bonds (distance) P-C4' energy: -27.023 flat angles C4'-P-C4' energy: -20.700 flat angles P-C4'-P energy: -15.285 tors. eta vs tors. theta energy: 0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -407.739118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.739118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.739118 (E_RNA) where: Base-Base interactions energy: -282.725 where: short stacking energy: -103.337 Base-Backbone interact. energy: 0.569 local terms energy: -125.582856 where: bonds (distance) C4'-P energy: -21.264 bonds (distance) P-C4' energy: -30.731 flat angles C4'-P-C4' energy: -29.393 flat angles P-C4'-P energy: -15.293 tors. eta vs tors. theta energy: -28.902 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: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -395.586856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.586856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.586856 (E_RNA) where: Base-Base interactions energy: -269.349 where: short stacking energy: -111.539 Base-Backbone interact. energy: -0.535 local terms energy: -125.701973 where: bonds (distance) C4'-P energy: -24.324 bonds (distance) P-C4' energy: -20.736 flat angles C4'-P-C4' energy: -25.226 flat angles P-C4'-P energy: -23.046 tors. eta vs tors. theta energy: -32.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -368.635440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.635440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.635440 (E_RNA) where: Base-Base interactions energy: -252.111 where: short stacking energy: -115.765 Base-Backbone interact. energy: 0.199 local terms energy: -116.722645 where: bonds (distance) C4'-P energy: -23.466 bonds (distance) P-C4' energy: -24.744 flat angles C4'-P-C4' energy: -23.711 flat angles P-C4'-P energy: -16.533 tors. eta vs tors. theta energy: -28.269 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: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -342.001505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.001505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.001505 (E_RNA) where: Base-Base interactions energy: -231.794 where: short stacking energy: -115.722 Base-Backbone interact. energy: -0.682 local terms energy: -109.525854 where: bonds (distance) C4'-P energy: -18.032 bonds (distance) P-C4' energy: -20.007 flat angles C4'-P-C4' energy: -26.505 flat angles P-C4'-P energy: -14.711 tors. eta vs tors. theta energy: -30.271 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: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -324.657386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.657386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.657386 (E_RNA) where: Base-Base interactions energy: -206.544 where: short stacking energy: -89.782 Base-Backbone interact. energy: -0.423 local terms energy: -117.690807 where: bonds (distance) C4'-P energy: -20.571 bonds (distance) P-C4' energy: -27.541 flat angles C4'-P-C4' energy: -24.420 flat angles P-C4'-P energy: -17.314 tors. eta vs tors. theta energy: -27.844 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: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -242.724104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.724104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.724104 (E_RNA) where: Base-Base interactions energy: -148.351 where: short stacking energy: -75.311 Base-Backbone interact. energy: -0.155 local terms energy: -94.217827 where: bonds (distance) C4'-P energy: -19.616 bonds (distance) P-C4' energy: -20.628 flat angles C4'-P-C4' energy: -20.028 flat angles P-C4'-P energy: -12.027 tors. eta vs tors. theta energy: -21.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -255.061330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.061330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.061330 (E_RNA) where: Base-Base interactions energy: -150.312 where: short stacking energy: -64.672 Base-Backbone interact. energy: -0.875 local terms energy: -103.874799 where: bonds (distance) C4'-P energy: -24.698 bonds (distance) P-C4' energy: -26.221 flat angles C4'-P-C4' energy: -20.875 flat angles P-C4'-P energy: -15.841 tors. eta vs tors. theta energy: -16.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -210.000199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.000199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.000199 (E_RNA) where: Base-Base interactions energy: -123.796 where: short stacking energy: -53.588 Base-Backbone interact. energy: -1.193 local terms energy: -85.012040 where: bonds (distance) C4'-P energy: -18.242 bonds (distance) P-C4' energy: -20.911 flat angles C4'-P-C4' energy: -25.013 flat angles P-C4'-P energy: -14.721 tors. eta vs tors. theta energy: -6.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -237.539890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.539890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.539890 (E_RNA) where: Base-Base interactions energy: -153.009 where: short stacking energy: -74.634 Base-Backbone interact. energy: -1.609 local terms energy: -82.920940 where: bonds (distance) C4'-P energy: -23.076 bonds (distance) P-C4' energy: -21.555 flat angles C4'-P-C4' energy: -20.988 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -14.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -124.272578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.272578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.272578 (E_RNA) where: Base-Base interactions energy: -50.056 where: short stacking energy: -50.056 Base-Backbone interact. energy: 2.422 local terms energy: -76.638637 where: bonds (distance) C4'-P energy: -18.794 bonds (distance) P-C4' energy: -24.052 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -11.532 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -411.208930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.208930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.208930 (E_RNA) where: Base-Base interactions energy: -294.180 where: short stacking energy: -122.014 Base-Backbone interact. energy: 2.176 local terms energy: -119.205181 where: bonds (distance) C4'-P energy: -22.119 bonds (distance) P-C4' energy: -27.358 flat angles C4'-P-C4' energy: -24.000 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -35.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -410.127657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.127657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.127657 (E_RNA) where: Base-Base interactions energy: -288.880 where: short stacking energy: -121.084 Base-Backbone interact. energy: -0.658 local terms energy: -120.590045 where: bonds (distance) C4'-P energy: -17.535 bonds (distance) P-C4' energy: -25.600 flat angles C4'-P-C4' energy: -23.183 flat angles P-C4'-P energy: -19.899 tors. eta vs tors. theta energy: -34.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -356.221502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.221502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.221502 (E_RNA) where: Base-Base interactions energy: -235.700 where: short stacking energy: -104.455 Base-Backbone interact. energy: -0.107 local terms energy: -120.414125 where: bonds (distance) C4'-P energy: -25.648 bonds (distance) P-C4' energy: -19.043 flat angles C4'-P-C4' energy: -28.736 flat angles P-C4'-P energy: -20.776 tors. eta vs tors. theta energy: -26.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -327.961420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.961420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.961420 (E_RNA) where: Base-Base interactions energy: -216.771 where: short stacking energy: -105.121 Base-Backbone interact. energy: -0.050 local terms energy: -111.141218 where: bonds (distance) C4'-P energy: -22.360 bonds (distance) P-C4' energy: -20.286 flat angles C4'-P-C4' energy: -24.713 flat angles P-C4'-P energy: -14.273 tors. eta vs tors. theta energy: -29.509 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: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -344.700799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.700799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.700799 (E_RNA) where: Base-Base interactions energy: -231.975 where: short stacking energy: -104.980 Base-Backbone interact. energy: -0.301 local terms energy: -112.424115 where: bonds (distance) C4'-P energy: -19.996 bonds (distance) P-C4' energy: -19.740 flat angles C4'-P-C4' energy: -24.470 flat angles P-C4'-P energy: -15.686 tors. eta vs tors. theta energy: -32.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -260.399590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.399590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.399590 (E_RNA) where: Base-Base interactions energy: -166.264 where: short stacking energy: -80.369 Base-Backbone interact. energy: -1.331 local terms energy: -92.804425 where: bonds (distance) C4'-P energy: -24.272 bonds (distance) P-C4' energy: -24.837 flat angles C4'-P-C4' energy: -16.298 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -206.916955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.916955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.916955 (E_RNA) where: Base-Base interactions energy: -127.644 where: short stacking energy: -68.670 Base-Backbone interact. energy: -0.118 local terms energy: -79.155004 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -17.441 flat angles C4'-P-C4' energy: -21.082 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -14.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -244.996019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.996019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.996019 (E_RNA) where: Base-Base interactions energy: -163.016 where: short stacking energy: -69.661 Base-Backbone interact. energy: 1.120 local terms energy: -83.099569 where: bonds (distance) C4'-P energy: -20.687 bonds (distance) P-C4' energy: -19.804 flat angles C4'-P-C4' energy: -22.795 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -10.310 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: 9, replica: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -184.421786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.421786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.421786 (E_RNA) where: Base-Base interactions energy: -110.878 where: short stacking energy: -61.743 Base-Backbone interact. energy: 0.162 local terms energy: -73.705813 where: bonds (distance) C4'-P energy: -23.035 bonds (distance) P-C4' energy: -10.679 flat angles C4'-P-C4' energy: -19.151 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -12.737 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: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -121.370295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.370295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.370295 (E_RNA) where: Base-Base interactions energy: -48.271 where: short stacking energy: -41.493 Base-Backbone interact. energy: 1.939 local terms energy: -75.038517 where: bonds (distance) C4'-P energy: -22.873 bonds (distance) P-C4' energy: -23.059 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -409.742713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.742713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.742713 (E_RNA) where: Base-Base interactions energy: -280.248 where: short stacking energy: -126.878 Base-Backbone interact. energy: -0.459 local terms energy: -129.035970 where: bonds (distance) C4'-P energy: -20.547 bonds (distance) P-C4' energy: -28.021 flat angles C4'-P-C4' energy: -27.936 flat angles P-C4'-P energy: -14.804 tors. eta vs tors. theta energy: -37.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -406.277230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.277230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.277230 (E_RNA) where: Base-Base interactions energy: -282.140 where: short stacking energy: -113.391 Base-Backbone interact. energy: -0.117 local terms energy: -124.019956 where: bonds (distance) C4'-P energy: -23.656 bonds (distance) P-C4' energy: -22.617 flat angles C4'-P-C4' energy: -26.467 flat angles P-C4'-P energy: -20.178 tors. eta vs tors. theta energy: -31.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -353.048725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.048725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.048725 (E_RNA) where: Base-Base interactions energy: -235.030 where: short stacking energy: -124.547 Base-Backbone interact. energy: -0.030 local terms energy: -117.988873 where: bonds (distance) C4'-P energy: -21.011 bonds (distance) P-C4' energy: -15.648 flat angles C4'-P-C4' energy: -25.320 flat angles P-C4'-P energy: -19.631 tors. eta vs tors. theta energy: -36.379 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: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -361.102217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.102217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.102217 (E_RNA) where: Base-Base interactions energy: -249.152 where: short stacking energy: -109.475 Base-Backbone interact. energy: -0.493 local terms energy: -111.457521 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -20.610 flat angles C4'-P-C4' energy: -25.562 flat angles P-C4'-P energy: -14.791 tors. eta vs tors. theta energy: -34.901 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: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -337.876110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.876110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.876110 (E_RNA) where: Base-Base interactions energy: -227.462 where: short stacking energy: -110.663 Base-Backbone interact. energy: -0.036 local terms energy: -110.377905 where: bonds (distance) C4'-P energy: -20.459 bonds (distance) P-C4' energy: -19.560 flat angles C4'-P-C4' energy: -22.092 flat angles P-C4'-P energy: -17.607 tors. eta vs tors. theta energy: -30.660 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: 176 Temperature: 1.150000 Total energy: -259.624784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.624784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.624784 (E_RNA) where: Base-Base interactions energy: -166.865 where: short stacking energy: -79.097 Base-Backbone interact. energy: -0.104 local terms energy: -92.656063 where: bonds (distance) C4'-P energy: -21.015 bonds (distance) P-C4' energy: -22.573 flat angles C4'-P-C4' energy: -24.719 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -12.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -234.205982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.205982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.205982 (E_RNA) where: Base-Base interactions energy: -149.957 where: short stacking energy: -74.647 Base-Backbone interact. energy: -1.405 local terms energy: -82.844104 where: bonds (distance) C4'-P energy: -17.188 bonds (distance) P-C4' energy: -16.469 flat angles C4'-P-C4' energy: -24.624 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -15.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -203.750667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.750667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.750667 (E_RNA) where: Base-Base interactions energy: -112.673 where: short stacking energy: -70.349 Base-Backbone interact. energy: -0.682 local terms energy: -90.394873 where: bonds (distance) C4'-P energy: -21.310 bonds (distance) P-C4' energy: -22.261 flat angles C4'-P-C4' energy: -19.750 flat angles P-C4'-P energy: -12.866 tors. eta vs tors. theta energy: -14.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -191.460463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.460463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.460463 (E_RNA) where: Base-Base interactions energy: -108.435 where: short stacking energy: -55.913 Base-Backbone interact. energy: -0.025 local terms energy: -83.001108 where: bonds (distance) C4'-P energy: -17.685 bonds (distance) P-C4' energy: -24.776 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -14.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -129.369279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.369279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.369279 (E_RNA) where: Base-Base interactions energy: -71.606 where: short stacking energy: -30.833 Base-Backbone interact. energy: -0.261 local terms energy: -57.501975 where: bonds (distance) C4'-P energy: -18.623 bonds (distance) P-C4' energy: -15.852 flat angles C4'-P-C4' energy: -19.229 flat angles P-C4'-P energy: -4.809 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: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -409.936049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.936049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.936049 (E_RNA) where: Base-Base interactions energy: -283.137 where: short stacking energy: -114.051 Base-Backbone interact. energy: 0.038 local terms energy: -126.836785 where: bonds (distance) C4'-P energy: -25.275 bonds (distance) P-C4' energy: -26.128 flat angles C4'-P-C4' energy: -22.957 flat angles P-C4'-P energy: -17.003 tors. eta vs tors. theta energy: -35.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -407.825241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.825241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.825241 (E_RNA) where: Base-Base interactions energy: -291.335 where: short stacking energy: -122.397 Base-Backbone interact. energy: -0.016 local terms energy: -116.474013 where: bonds (distance) C4'-P energy: -24.120 bonds (distance) P-C4' energy: -26.524 flat angles C4'-P-C4' energy: -19.573 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -33.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -321.831443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.831443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.831443 (E_RNA) where: Base-Base interactions energy: -198.970 where: short stacking energy: -89.291 Base-Backbone interact. energy: 1.529 local terms energy: -124.390445 where: bonds (distance) C4'-P energy: -20.385 bonds (distance) P-C4' energy: -25.650 flat angles C4'-P-C4' energy: -25.445 flat angles P-C4'-P energy: -20.293 tors. eta vs tors. theta energy: -32.617 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: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -345.059446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.059446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.059446 (E_RNA) where: Base-Base interactions energy: -223.707 where: short stacking energy: -105.851 Base-Backbone interact. energy: -0.441 local terms energy: -120.911739 where: bonds (distance) C4'-P energy: -25.479 bonds (distance) P-C4' energy: -24.116 flat angles C4'-P-C4' energy: -26.593 flat angles P-C4'-P energy: -18.225 tors. eta vs tors. theta energy: -26.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -357.018935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.018935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.018935 (E_RNA) where: Base-Base interactions energy: -244.795 where: short stacking energy: -97.133 Base-Backbone interact. energy: -1.229 local terms energy: -110.994570 where: bonds (distance) C4'-P energy: -21.763 bonds (distance) P-C4' energy: -19.318 flat angles C4'-P-C4' energy: -20.721 flat angles P-C4'-P energy: -20.630 tors. eta vs tors. theta energy: -28.563 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: 6, replica: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -252.940092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.940092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.940092 (E_RNA) where: Base-Base interactions energy: -168.568 where: short stacking energy: -69.628 Base-Backbone interact. energy: 0.843 local terms energy: -85.214833 where: bonds (distance) C4'-P energy: -16.322 bonds (distance) P-C4' energy: -26.148 flat angles C4'-P-C4' energy: -22.012 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -12.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -247.802809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.802809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.802809 (E_RNA) where: Base-Base interactions energy: -152.727 where: short stacking energy: -80.817 Base-Backbone interact. energy: -0.097 local terms energy: -94.978797 where: bonds (distance) C4'-P energy: -17.701 bonds (distance) P-C4' energy: -25.078 flat angles C4'-P-C4' energy: -21.143 flat angles P-C4'-P energy: -17.443 tors. eta vs tors. theta energy: -13.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -194.527261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.527261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.527261 (E_RNA) where: Base-Base interactions energy: -107.339 where: short stacking energy: -53.441 Base-Backbone interact. energy: 0.419 local terms energy: -87.607777 where: bonds (distance) C4'-P energy: -21.881 bonds (distance) P-C4' energy: -23.007 flat angles C4'-P-C4' energy: -23.431 flat angles P-C4'-P energy: -13.604 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -200.341379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.341379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.341379 (E_RNA) where: Base-Base interactions energy: -113.748 where: short stacking energy: -47.488 Base-Backbone interact. energy: 1.031 local terms energy: -87.624583 where: bonds (distance) C4'-P energy: -21.639 bonds (distance) P-C4' energy: -23.178 flat angles C4'-P-C4' energy: -21.770 flat angles P-C4'-P energy: -13.796 tors. eta vs tors. theta energy: -7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -111.360429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.360429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.360429 (E_RNA) where: Base-Base interactions energy: -36.055 where: short stacking energy: -33.094 Base-Backbone interact. energy: -0.318 local terms energy: -74.987855 where: bonds (distance) C4'-P energy: -21.088 bonds (distance) P-C4' energy: -19.517 flat angles C4'-P-C4' energy: -19.707 flat angles P-C4'-P energy: -17.019 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: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -410.929722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.929722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.929722 (E_RNA) where: Base-Base interactions energy: -284.957 where: short stacking energy: -125.239 Base-Backbone interact. energy: -0.013 local terms energy: -125.960175 where: bonds (distance) C4'-P energy: -26.614 bonds (distance) P-C4' energy: -20.764 flat angles C4'-P-C4' energy: -24.528 flat angles P-C4'-P energy: -20.003 tors. eta vs tors. theta energy: -34.051 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: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -406.129860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.129860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.129860 (E_RNA) where: Base-Base interactions energy: -286.002 where: short stacking energy: -122.743 Base-Backbone interact. energy: -0.411 local terms energy: -119.716456 where: bonds (distance) C4'-P energy: -21.698 bonds (distance) P-C4' energy: -24.475 flat angles C4'-P-C4' energy: -23.578 flat angles P-C4'-P energy: -17.042 tors. eta vs tors. theta energy: -32.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -365.774731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.774731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.774731 (E_RNA) where: Base-Base interactions energy: -244.968 where: short stacking energy: -128.928 Base-Backbone interact. energy: -0.436 local terms energy: -120.370427 where: bonds (distance) C4'-P energy: -25.774 bonds (distance) P-C4' energy: -24.104 flat angles C4'-P-C4' energy: -24.823 flat angles P-C4'-P energy: -14.032 tors. eta vs tors. theta energy: -31.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -345.461540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.461540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.461540 (E_RNA) where: Base-Base interactions energy: -220.555 where: short stacking energy: -118.627 Base-Backbone interact. energy: -0.037 local terms energy: -124.869455 where: bonds (distance) C4'-P energy: -16.482 bonds (distance) P-C4' energy: -26.467 flat angles C4'-P-C4' energy: -27.710 flat angles P-C4'-P energy: -18.010 tors. eta vs tors. theta energy: -36.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -340.512203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.512203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.512203 (E_RNA) where: Base-Base interactions energy: -233.104 where: short stacking energy: -89.009 Base-Backbone interact. energy: -1.130 local terms energy: -106.277840 where: bonds (distance) C4'-P energy: -21.959 bonds (distance) P-C4' energy: -22.459 flat angles C4'-P-C4' energy: -20.911 flat angles P-C4'-P energy: -12.373 tors. eta vs tors. theta energy: -28.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -257.787109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.787109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.787109 (E_RNA) where: Base-Base interactions energy: -172.874 where: short stacking energy: -87.392 Base-Backbone interact. energy: 0.125 local terms energy: -85.038468 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -20.206 flat angles C4'-P-C4' energy: -18.963 flat angles P-C4'-P energy: -15.955 tors. eta vs tors. theta energy: -15.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -245.748289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.748289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.748289 (E_RNA) where: Base-Base interactions energy: -162.208 where: short stacking energy: -71.903 Base-Backbone interact. energy: -0.078 local terms energy: -83.462115 where: bonds (distance) C4'-P energy: -16.950 bonds (distance) P-C4' energy: -21.840 flat angles C4'-P-C4' energy: -20.881 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -12.650 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: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -198.784241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.784241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.784241 (E_RNA) where: Base-Base interactions energy: -110.110 where: short stacking energy: -56.589 Base-Backbone interact. energy: -0.867 local terms energy: -87.807841 where: bonds (distance) C4'-P energy: -22.609 bonds (distance) P-C4' energy: -17.027 flat angles C4'-P-C4' energy: -23.183 flat angles P-C4'-P energy: -17.528 tors. eta vs tors. theta energy: -7.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -187.741867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.741867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.741867 (E_RNA) where: Base-Base interactions energy: -113.247 where: short stacking energy: -65.936 Base-Backbone interact. energy: -0.223 local terms energy: -74.272406 where: bonds (distance) C4'-P energy: -16.040 bonds (distance) P-C4' energy: -19.192 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -14.984 tors. eta vs tors. theta energy: -8.991 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: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -121.307973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.307973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.307973 (E_RNA) where: Base-Base interactions energy: -47.692 where: short stacking energy: -42.975 Base-Backbone interact. energy: 0.460 local terms energy: -74.075076 where: bonds (distance) C4'-P energy: -20.679 bonds (distance) P-C4' energy: -18.601 flat angles C4'-P-C4' energy: -19.927 flat angles P-C4'-P energy: -14.006 tors. eta vs tors. theta energy: -0.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -416.300710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.300710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.300710 (E_RNA) where: Base-Base interactions energy: -277.820 where: short stacking energy: -130.877 Base-Backbone interact. energy: -1.916 local terms energy: -136.564969 where: bonds (distance) C4'-P energy: -26.836 bonds (distance) P-C4' energy: -26.220 flat angles C4'-P-C4' energy: -25.782 flat angles P-C4'-P energy: -23.409 tors. eta vs tors. theta energy: -34.318 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: 2, replica: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -399.624108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.624108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.624108 (E_RNA) where: Base-Base interactions energy: -278.243 where: short stacking energy: -117.391 Base-Backbone interact. energy: -1.293 local terms energy: -120.088202 where: bonds (distance) C4'-P energy: -24.832 bonds (distance) P-C4' energy: -24.808 flat angles C4'-P-C4' energy: -24.550 flat angles P-C4'-P energy: -19.646 tors. eta vs tors. theta energy: -26.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -354.888720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.888720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.888720 (E_RNA) where: Base-Base interactions energy: -230.471 where: short stacking energy: -114.314 Base-Backbone interact. energy: -0.502 local terms energy: -123.915359 where: bonds (distance) C4'-P energy: -23.974 bonds (distance) P-C4' energy: -25.211 flat angles C4'-P-C4' energy: -24.921 flat angles P-C4'-P energy: -16.506 tors. eta vs tors. theta energy: -33.303 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: 179 Temperature: 1.050000 Total energy: -376.074147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.074147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.074147 (E_RNA) where: Base-Base interactions energy: -252.572 where: short stacking energy: -124.898 Base-Backbone interact. energy: -1.298 local terms energy: -122.204288 where: bonds (distance) C4'-P energy: -22.869 bonds (distance) P-C4' energy: -21.423 flat angles C4'-P-C4' energy: -26.818 flat angles P-C4'-P energy: -18.183 tors. eta vs tors. theta energy: -32.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -339.943272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.943272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.943272 (E_RNA) where: Base-Base interactions energy: -223.070 where: short stacking energy: -114.259 Base-Backbone interact. energy: -0.076 local terms energy: -116.796923 where: bonds (distance) C4'-P energy: -18.909 bonds (distance) P-C4' energy: -21.610 flat angles C4'-P-C4' energy: -27.239 flat angles P-C4'-P energy: -18.446 tors. eta vs tors. theta energy: -30.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -279.241830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.241830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.241830 (E_RNA) where: Base-Base interactions energy: -191.298 where: short stacking energy: -91.317 Base-Backbone interact. energy: -0.249 local terms energy: -87.694554 where: bonds (distance) C4'-P energy: -20.548 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -12.682 tors. eta vs tors. theta energy: -25.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -249.117410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.117410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.117410 (E_RNA) where: Base-Base interactions energy: -164.602 where: short stacking energy: -80.317 Base-Backbone interact. energy: -1.062 local terms energy: -83.453104 where: bonds (distance) C4'-P energy: -18.908 bonds (distance) P-C4' energy: -17.710 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -14.524 tors. eta vs tors. theta energy: -16.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -225.334654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.334654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.334654 (E_RNA) where: Base-Base interactions energy: -127.867 where: short stacking energy: -68.419 Base-Backbone interact. energy: -0.137 local terms energy: -97.330604 where: bonds (distance) C4'-P energy: -21.498 bonds (distance) P-C4' energy: -19.124 flat angles C4'-P-C4' energy: -22.780 flat angles P-C4'-P energy: -15.827 tors. eta vs tors. theta energy: -18.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -187.481425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.481425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.481425 (E_RNA) where: Base-Base interactions energy: -106.152 where: short stacking energy: -59.972 Base-Backbone interact. energy: -1.030 local terms energy: -80.299314 where: bonds (distance) C4'-P energy: -19.756 bonds (distance) P-C4' energy: -23.280 flat angles C4'-P-C4' energy: -16.893 flat angles P-C4'-P energy: -13.455 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -137.163788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.163788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.163788 (E_RNA) where: Base-Base interactions energy: -60.681 where: short stacking energy: -38.968 Base-Backbone interact. energy: -0.258 local terms energy: -76.224439 where: bonds (distance) C4'-P energy: -21.361 bonds (distance) P-C4' energy: -24.163 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -14.255 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: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -400.365357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.365357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.365357 (E_RNA) where: Base-Base interactions energy: -277.866 where: short stacking energy: -113.049 Base-Backbone interact. energy: -2.572 local terms energy: -119.927426 where: bonds (distance) C4'-P energy: -24.028 bonds (distance) P-C4' energy: -20.632 flat angles C4'-P-C4' energy: -28.043 flat angles P-C4'-P energy: -17.902 tors. eta vs tors. theta energy: -29.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -400.922828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.922828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.922828 (E_RNA) where: Base-Base interactions energy: -284.528 where: short stacking energy: -127.175 Base-Backbone interact. energy: -0.010 local terms energy: -116.384595 where: bonds (distance) C4'-P energy: -13.220 bonds (distance) P-C4' energy: -23.581 flat angles C4'-P-C4' energy: -25.748 flat angles P-C4'-P energy: -19.299 tors. eta vs tors. theta energy: -34.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -375.511794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.511794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.511794 (E_RNA) where: Base-Base interactions energy: -251.647 where: short stacking energy: -120.691 Base-Backbone interact. energy: -0.710 local terms energy: -123.154249 where: bonds (distance) C4'-P energy: -21.861 bonds (distance) P-C4' energy: -22.733 flat angles C4'-P-C4' energy: -27.726 flat angles P-C4'-P energy: -16.434 tors. eta vs tors. theta energy: -34.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -349.539575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.539575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.539575 (E_RNA) where: Base-Base interactions energy: -230.205 where: short stacking energy: -114.641 Base-Backbone interact. energy: -0.651 local terms energy: -118.683819 where: bonds (distance) C4'-P energy: -24.529 bonds (distance) P-C4' energy: -19.863 flat angles C4'-P-C4' energy: -30.733 flat angles P-C4'-P energy: -12.860 tors. eta vs tors. theta energy: -30.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -306.009836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.009836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.009836 (E_RNA) where: Base-Base interactions energy: -205.005 where: short stacking energy: -96.560 Base-Backbone interact. energy: -0.283 local terms energy: -100.722451 where: bonds (distance) C4'-P energy: -24.795 bonds (distance) P-C4' energy: -20.125 flat angles C4'-P-C4' energy: -20.919 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -22.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -327.182913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.182913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.182913 (E_RNA) where: Base-Base interactions energy: -213.129 where: short stacking energy: -95.694 Base-Backbone interact. energy: 0.044 local terms energy: -114.098027 where: bonds (distance) C4'-P energy: -19.836 bonds (distance) P-C4' energy: -21.508 flat angles C4'-P-C4' energy: -19.984 flat angles P-C4'-P energy: -20.623 tors. eta vs tors. theta energy: -32.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -244.013148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.013148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.013148 (E_RNA) where: Base-Base interactions energy: -149.890 where: short stacking energy: -72.300 Base-Backbone interact. energy: -0.090 local terms energy: -94.032569 where: bonds (distance) C4'-P energy: -17.144 bonds (distance) P-C4' energy: -19.507 flat angles C4'-P-C4' energy: -23.397 flat angles P-C4'-P energy: -16.343 tors. eta vs tors. theta energy: -17.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -211.366209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.366209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.366209 (E_RNA) where: Base-Base interactions energy: -114.453 where: short stacking energy: -60.672 Base-Backbone interact. energy: -0.060 local terms energy: -96.853732 where: bonds (distance) C4'-P energy: -25.800 bonds (distance) P-C4' energy: -20.622 flat angles C4'-P-C4' energy: -20.535 flat angles P-C4'-P energy: -12.162 tors. eta vs tors. theta energy: -17.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -186.989226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.989226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.989226 (E_RNA) where: Base-Base interactions energy: -109.518 where: short stacking energy: -59.221 Base-Backbone interact. energy: 0.340 local terms energy: -77.811826 where: bonds (distance) C4'-P energy: -19.520 bonds (distance) P-C4' energy: -20.007 flat angles C4'-P-C4' energy: -22.518 flat angles P-C4'-P energy: -12.486 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -110.161540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.161540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.161540 (E_RNA) where: Base-Base interactions energy: -39.566 where: short stacking energy: -31.454 Base-Backbone interact. energy: -0.229 local terms energy: -70.366467 where: bonds (distance) C4'-P energy: -18.826 bonds (distance) P-C4' energy: -19.863 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -12.679 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: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -414.128995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.128995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.128995 (E_RNA) where: Base-Base interactions energy: -279.186 where: short stacking energy: -113.764 Base-Backbone interact. energy: -1.069 local terms energy: -133.873543 where: bonds (distance) C4'-P energy: -26.013 bonds (distance) P-C4' energy: -25.183 flat angles C4'-P-C4' energy: -30.374 flat angles P-C4'-P energy: -20.179 tors. eta vs tors. theta energy: -32.124 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: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -408.939412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.939412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.939412 (E_RNA) where: Base-Base interactions energy: -283.800 where: short stacking energy: -123.093 Base-Backbone interact. energy: -0.330 local terms energy: -124.809115 where: bonds (distance) C4'-P energy: -21.828 bonds (distance) P-C4' energy: -26.875 flat angles C4'-P-C4' energy: -23.511 flat angles P-C4'-P energy: -14.412 tors. eta vs tors. theta energy: -38.183 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: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -376.146532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.146532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.146532 (E_RNA) where: Base-Base interactions energy: -252.880 where: short stacking energy: -107.559 Base-Backbone interact. energy: -0.018 local terms energy: -123.248210 where: bonds (distance) C4'-P energy: -25.254 bonds (distance) P-C4' energy: -25.786 flat angles C4'-P-C4' energy: -24.286 flat angles P-C4'-P energy: -17.084 tors. eta vs tors. theta energy: -30.838 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: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -341.040121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.040121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.040121 (E_RNA) where: Base-Base interactions energy: -225.658 where: short stacking energy: -105.222 Base-Backbone interact. energy: -1.425 local terms energy: -113.956474 where: bonds (distance) C4'-P energy: -22.624 bonds (distance) P-C4' energy: -19.924 flat angles C4'-P-C4' energy: -21.628 flat angles P-C4'-P energy: -17.387 tors. eta vs tors. theta energy: -32.394 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: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -308.333622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.333622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.333622 (E_RNA) where: Base-Base interactions energy: -196.703 where: short stacking energy: -83.708 Base-Backbone interact. energy: -1.240 local terms energy: -110.390921 where: bonds (distance) C4'-P energy: -23.548 bonds (distance) P-C4' energy: -25.055 flat angles C4'-P-C4' energy: -23.170 flat angles P-C4'-P energy: -17.933 tors. eta vs tors. theta energy: -20.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -328.647036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.647036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.647036 (E_RNA) where: Base-Base interactions energy: -216.537 where: short stacking energy: -114.210 Base-Backbone interact. energy: -0.163 local terms energy: -111.947278 where: bonds (distance) C4'-P energy: -16.204 bonds (distance) P-C4' energy: -16.289 flat angles C4'-P-C4' energy: -26.957 flat angles P-C4'-P energy: -17.450 tors. eta vs tors. theta energy: -35.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -233.952346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.952346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.952346 (E_RNA) where: Base-Base interactions energy: -155.590 where: short stacking energy: -58.926 Base-Backbone interact. energy: 0.053 local terms energy: -78.416090 where: bonds (distance) C4'-P energy: -20.713 bonds (distance) P-C4' energy: -18.636 flat angles C4'-P-C4' energy: -21.319 flat angles P-C4'-P energy: -8.619 tors. eta vs tors. theta energy: -9.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -214.784309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.784309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.784309 (E_RNA) where: Base-Base interactions energy: -134.877 where: short stacking energy: -73.334 Base-Backbone interact. energy: -0.265 local terms energy: -79.642571 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -26.163 flat angles C4'-P-C4' energy: -20.774 flat angles P-C4'-P energy: -13.245 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -192.553224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.553224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.553224 (E_RNA) where: Base-Base interactions energy: -113.029 where: short stacking energy: -57.419 Base-Backbone interact. energy: -0.517 local terms energy: -79.007724 where: bonds (distance) C4'-P energy: -19.535 bonds (distance) P-C4' energy: -22.059 flat angles C4'-P-C4' energy: -16.722 flat angles P-C4'-P energy: -13.990 tors. eta vs tors. theta energy: -6.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -123.855903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.855903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.855903 (E_RNA) where: Base-Base interactions energy: -48.790 where: short stacking energy: -40.749 Base-Backbone interact. energy: 1.279 local terms energy: -76.344434 where: bonds (distance) C4'-P energy: -21.469 bonds (distance) P-C4' energy: -22.734 flat angles C4'-P-C4' energy: -17.668 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -418.892551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.892551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.892551 (E_RNA) where: Base-Base interactions energy: -295.170 where: short stacking energy: -119.660 Base-Backbone interact. energy: -0.222 local terms energy: -123.500095 where: bonds (distance) C4'-P energy: -15.949 bonds (distance) P-C4' energy: -25.905 flat angles C4'-P-C4' energy: -29.633 flat angles P-C4'-P energy: -16.142 tors. eta vs tors. theta energy: -35.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -402.462999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.462999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.462999 (E_RNA) where: Base-Base interactions energy: -282.454 where: short stacking energy: -116.668 Base-Backbone interact. energy: -0.445 local terms energy: -119.564023 where: bonds (distance) C4'-P energy: -22.151 bonds (distance) P-C4' energy: -23.708 flat angles C4'-P-C4' energy: -27.509 flat angles P-C4'-P energy: -16.800 tors. eta vs tors. theta energy: -29.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -353.791414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.791414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.791414 (E_RNA) where: Base-Base interactions energy: -228.311 where: short stacking energy: -118.584 Base-Backbone interact. energy: -0.108 local terms energy: -125.371903 where: bonds (distance) C4'-P energy: -27.649 bonds (distance) P-C4' energy: -20.713 flat angles C4'-P-C4' energy: -25.032 flat angles P-C4'-P energy: -16.732 tors. eta vs tors. theta energy: -35.246 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: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -363.306787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.306787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.306787 (E_RNA) where: Base-Base interactions energy: -250.179 where: short stacking energy: -107.443 Base-Backbone interact. energy: -0.066 local terms energy: -113.062649 where: bonds (distance) C4'-P energy: -22.817 bonds (distance) P-C4' energy: -23.527 flat angles C4'-P-C4' energy: -21.662 flat angles P-C4'-P energy: -15.706 tors. eta vs tors. theta energy: -29.351 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: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -335.907867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.907867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.907867 (E_RNA) where: Base-Base interactions energy: -216.419 where: short stacking energy: -102.146 Base-Backbone interact. energy: -0.018 local terms energy: -119.470488 where: bonds (distance) C4'-P energy: -15.392 bonds (distance) P-C4' energy: -28.641 flat angles C4'-P-C4' energy: -23.108 flat angles P-C4'-P energy: -20.217 tors. eta vs tors. theta energy: -32.113 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: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -287.433448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.433448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.433448 (E_RNA) where: Base-Base interactions energy: -197.819 where: short stacking energy: -78.767 Base-Backbone interact. energy: -0.513 local terms energy: -89.102364 where: bonds (distance) C4'-P energy: -19.898 bonds (distance) P-C4' energy: -18.692 flat angles C4'-P-C4' energy: -17.574 flat angles P-C4'-P energy: -13.333 tors. eta vs tors. theta energy: -19.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -241.401953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.401953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.401953 (E_RNA) where: Base-Base interactions energy: -146.153 where: short stacking energy: -69.870 Base-Backbone interact. energy: 1.948 local terms energy: -97.196701 where: bonds (distance) C4'-P energy: -18.010 bonds (distance) P-C4' energy: -20.520 flat angles C4'-P-C4' energy: -24.982 flat angles P-C4'-P energy: -12.684 tors. eta vs tors. theta energy: -21.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -211.051548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.051548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.051548 (E_RNA) where: Base-Base interactions energy: -110.481 where: short stacking energy: -71.215 Base-Backbone interact. energy: -0.032 local terms energy: -100.538789 where: bonds (distance) C4'-P energy: -18.205 bonds (distance) P-C4' energy: -23.996 flat angles C4'-P-C4' energy: -25.592 flat angles P-C4'-P energy: -13.661 tors. eta vs tors. theta energy: -19.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -182.859271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.859271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.859271 (E_RNA) where: Base-Base interactions energy: -101.477 where: short stacking energy: -50.418 Base-Backbone interact. energy: -0.351 local terms energy: -81.031588 where: bonds (distance) C4'-P energy: -23.466 bonds (distance) P-C4' energy: -18.960 flat angles C4'-P-C4' energy: -21.126 flat angles P-C4'-P energy: -15.165 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -128.288678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.288678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.288678 (E_RNA) where: Base-Base interactions energy: -43.968 where: short stacking energy: -40.360 Base-Backbone interact. energy: -0.863 local terms energy: -83.457900 where: bonds (distance) C4'-P energy: -26.377 bonds (distance) P-C4' energy: -22.567 flat angles C4'-P-C4' energy: -24.241 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -424.292787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.292787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.292787 (E_RNA) where: Base-Base interactions energy: -289.003 where: short stacking energy: -115.716 Base-Backbone interact. energy: -0.309 local terms energy: -134.980393 where: bonds (distance) C4'-P energy: -27.915 bonds (distance) P-C4' energy: -22.014 flat angles C4'-P-C4' energy: -28.446 flat angles P-C4'-P energy: -20.525 tors. eta vs tors. theta energy: -36.080 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: 2 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -393.983880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.983880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.983880 (E_RNA) where: Base-Base interactions energy: -272.141 where: short stacking energy: -115.499 Base-Backbone interact. energy: -1.048 local terms energy: -120.795036 where: bonds (distance) C4'-P energy: -23.504 bonds (distance) P-C4' energy: -26.788 flat angles C4'-P-C4' energy: -20.503 flat angles P-C4'-P energy: -17.740 tors. eta vs tors. theta energy: -32.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -351.518169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.518169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.518169 (E_RNA) where: Base-Base interactions energy: -225.281 where: short stacking energy: -111.892 Base-Backbone interact. energy: -0.066 local terms energy: -126.171340 where: bonds (distance) C4'-P energy: -26.327 bonds (distance) P-C4' energy: -22.837 flat angles C4'-P-C4' energy: -26.289 flat angles P-C4'-P energy: -18.898 tors. eta vs tors. theta energy: -31.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -363.083653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.083653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.083653 (E_RNA) where: Base-Base interactions energy: -247.953 where: short stacking energy: -111.753 Base-Backbone interact. energy: 3.545 local terms energy: -118.675500 where: bonds (distance) C4'-P energy: -17.492 bonds (distance) P-C4' energy: -28.436 flat angles C4'-P-C4' energy: -26.180 flat angles P-C4'-P energy: -12.487 tors. eta vs tors. theta energy: -34.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -339.374433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.374433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.374433 (E_RNA) where: Base-Base interactions energy: -217.407 where: short stacking energy: -107.329 Base-Backbone interact. energy: 1.673 local terms energy: -123.640714 where: bonds (distance) C4'-P energy: -24.688 bonds (distance) P-C4' energy: -24.698 flat angles C4'-P-C4' energy: -26.837 flat angles P-C4'-P energy: -14.843 tors. eta vs tors. theta energy: -32.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -256.160435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.160435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.160435 (E_RNA) where: Base-Base interactions energy: -160.996 where: short stacking energy: -93.489 Base-Backbone interact. energy: -0.158 local terms energy: -95.006912 where: bonds (distance) C4'-P energy: -16.203 bonds (distance) P-C4' energy: -27.265 flat angles C4'-P-C4' energy: -18.770 flat angles P-C4'-P energy: -13.346 tors. eta vs tors. theta energy: -19.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -247.219684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.219684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.219684 (E_RNA) where: Base-Base interactions energy: -159.797 where: short stacking energy: -73.301 Base-Backbone interact. energy: -0.906 local terms energy: -86.516889 where: bonds (distance) C4'-P energy: -22.440 bonds (distance) P-C4' energy: -20.319 flat angles C4'-P-C4' energy: -16.920 flat angles P-C4'-P energy: -12.079 tors. eta vs tors. theta energy: -14.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -201.659220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.659220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.659220 (E_RNA) where: Base-Base interactions energy: -115.936 where: short stacking energy: -64.891 Base-Backbone interact. energy: -0.363 local terms energy: -85.361175 where: bonds (distance) C4'-P energy: -17.018 bonds (distance) P-C4' energy: -21.837 flat angles C4'-P-C4' energy: -21.652 flat angles P-C4'-P energy: -13.274 tors. eta vs tors. theta energy: -11.579 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: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -182.143447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.143447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.143447 (E_RNA) where: Base-Base interactions energy: -99.746 where: short stacking energy: -57.731 Base-Backbone interact. energy: -1.044 local terms energy: -81.353984 where: bonds (distance) C4'-P energy: -14.779 bonds (distance) P-C4' energy: -17.789 flat angles C4'-P-C4' energy: -21.978 flat angles P-C4'-P energy: -14.955 tors. eta vs tors. theta energy: -11.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -127.118635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.118635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.118635 (E_RNA) where: Base-Base interactions energy: -45.849 where: short stacking energy: -40.265 Base-Backbone interact. energy: -0.001 local terms energy: -81.267908 where: bonds (distance) C4'-P energy: -22.171 bonds (distance) P-C4' energy: -24.571 flat angles C4'-P-C4' energy: -17.942 flat angles P-C4'-P energy: -14.714 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: 1, replica: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -406.906429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.906429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.906429 (E_RNA) where: Base-Base interactions energy: -281.536 where: short stacking energy: -121.151 Base-Backbone interact. energy: -0.823 local terms energy: -124.547129 where: bonds (distance) C4'-P energy: -22.861 bonds (distance) P-C4' energy: -24.637 flat angles C4'-P-C4' energy: -25.759 flat angles P-C4'-P energy: -17.975 tors. eta vs tors. theta energy: -33.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -406.059451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.059451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.059451 (E_RNA) where: Base-Base interactions energy: -283.708 where: short stacking energy: -115.535 Base-Backbone interact. energy: -0.107 local terms energy: -122.244601 where: bonds (distance) C4'-P energy: -19.589 bonds (distance) P-C4' energy: -26.152 flat angles C4'-P-C4' energy: -25.296 flat angles P-C4'-P energy: -13.950 tors. eta vs tors. theta energy: -37.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -367.621615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.621615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.621615 (E_RNA) where: Base-Base interactions energy: -250.768 where: short stacking energy: -107.917 Base-Backbone interact. energy: 1.116 local terms energy: -117.970174 where: bonds (distance) C4'-P energy: -22.249 bonds (distance) P-C4' energy: -21.263 flat angles C4'-P-C4' energy: -24.883 flat angles P-C4'-P energy: -20.205 tors. eta vs tors. theta energy: -29.370 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: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -340.570616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.570616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.570616 (E_RNA) where: Base-Base interactions energy: -222.338 where: short stacking energy: -110.902 Base-Backbone interact. energy: -0.679 local terms energy: -117.553345 where: bonds (distance) C4'-P energy: -17.434 bonds (distance) P-C4' energy: -23.548 flat angles C4'-P-C4' energy: -26.046 flat angles P-C4'-P energy: -18.305 tors. eta vs tors. theta energy: -32.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -329.120219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.120219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.120219 (E_RNA) where: Base-Base interactions energy: -214.495 where: short stacking energy: -109.269 Base-Backbone interact. energy: -0.037 local terms energy: -114.588457 where: bonds (distance) C4'-P energy: -25.930 bonds (distance) P-C4' energy: -17.812 flat angles C4'-P-C4' energy: -19.895 flat angles P-C4'-P energy: -19.440 tors. eta vs tors. theta energy: -31.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -259.419743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.419743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.419743 (E_RNA) where: Base-Base interactions energy: -163.195 where: short stacking energy: -85.545 Base-Backbone interact. energy: 1.484 local terms energy: -97.709121 where: bonds (distance) C4'-P energy: -18.097 bonds (distance) P-C4' energy: -22.431 flat angles C4'-P-C4' energy: -22.439 flat angles P-C4'-P energy: -15.495 tors. eta vs tors. theta energy: -19.246 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: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -264.752292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.752292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.752292 (E_RNA) where: Base-Base interactions energy: -165.807 where: short stacking energy: -81.799 Base-Backbone interact. energy: -0.278 local terms energy: -98.667388 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -22.785 flat angles C4'-P-C4' energy: -22.311 flat angles P-C4'-P energy: -15.476 tors. eta vs tors. theta energy: -23.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -229.103584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.103584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.103584 (E_RNA) where: Base-Base interactions energy: -134.922 where: short stacking energy: -58.894 Base-Backbone interact. energy: -0.201 local terms energy: -93.980406 where: bonds (distance) C4'-P energy: -26.257 bonds (distance) P-C4' energy: -23.803 flat angles C4'-P-C4' energy: -19.305 flat angles P-C4'-P energy: -15.457 tors. eta vs tors. theta energy: -9.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -131.820147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.820147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.820147 (E_RNA) where: Base-Base interactions energy: -61.290 where: short stacking energy: -46.010 Base-Backbone interact. energy: -0.273 local terms energy: -70.257306 where: bonds (distance) C4'-P energy: -23.466 bonds (distance) P-C4' energy: -20.713 flat angles C4'-P-C4' energy: -19.145 flat angles P-C4'-P energy: -6.849 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: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -174.823984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.823984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.823984 (E_RNA) where: Base-Base interactions energy: -100.703 where: short stacking energy: -51.416 Base-Backbone interact. energy: -0.188 local terms energy: -73.932961 where: bonds (distance) C4'-P energy: -20.778 bonds (distance) P-C4' energy: -17.815 flat angles C4'-P-C4' energy: -17.855 flat angles P-C4'-P energy: -12.832 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: 1, replica: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -415.721411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.721411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.721411 (E_RNA) where: Base-Base interactions energy: -290.102 where: short stacking energy: -119.021 Base-Backbone interact. energy: -0.717 local terms energy: -124.901733 where: bonds (distance) C4'-P energy: -21.730 bonds (distance) P-C4' energy: -23.116 flat angles C4'-P-C4' energy: -24.160 flat angles P-C4'-P energy: -20.086 tors. eta vs tors. theta energy: -35.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -394.275067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.275067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.275067 (E_RNA) where: Base-Base interactions energy: -262.783 where: short stacking energy: -120.324 Base-Backbone interact. energy: -0.303 local terms energy: -131.189260 where: bonds (distance) C4'-P energy: -25.868 bonds (distance) P-C4' energy: -27.305 flat angles C4'-P-C4' energy: -23.457 flat angles P-C4'-P energy: -18.948 tors. eta vs tors. theta energy: -35.610 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: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -367.651238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.651238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.651238 (E_RNA) where: Base-Base interactions energy: -262.607 where: short stacking energy: -107.469 Base-Backbone interact. energy: 1.465 local terms energy: -106.509328 where: bonds (distance) C4'-P energy: -18.808 bonds (distance) P-C4' energy: -16.588 flat angles C4'-P-C4' energy: -26.800 flat angles P-C4'-P energy: -17.465 tors. eta vs tors. theta energy: -26.849 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: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -343.882487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.882487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.882487 (E_RNA) where: Base-Base interactions energy: -229.241 where: short stacking energy: -117.756 Base-Backbone interact. energy: -0.526 local terms energy: -114.115231 where: bonds (distance) C4'-P energy: -20.850 bonds (distance) P-C4' energy: -22.260 flat angles C4'-P-C4' energy: -20.472 flat angles P-C4'-P energy: -17.761 tors. eta vs tors. theta energy: -32.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -301.186082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.186082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.186082 (E_RNA) where: Base-Base interactions energy: -206.624 where: short stacking energy: -94.224 Base-Backbone interact. energy: -0.252 local terms energy: -94.309252 where: bonds (distance) C4'-P energy: -8.710 bonds (distance) P-C4' energy: -23.173 flat angles C4'-P-C4' energy: -23.117 flat angles P-C4'-P energy: -13.686 tors. eta vs tors. theta energy: -25.623 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: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -254.602291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.602291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.602291 (E_RNA) where: Base-Base interactions energy: -170.036 where: short stacking energy: -86.708 Base-Backbone interact. energy: -0.136 local terms energy: -84.430198 where: bonds (distance) C4'-P energy: -18.191 bonds (distance) P-C4' energy: -25.532 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -8.498 tors. eta vs tors. theta energy: -18.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -246.328926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.328926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.328926 (E_RNA) where: Base-Base interactions energy: -159.414 where: short stacking energy: -81.688 Base-Backbone interact. energy: -0.148 local terms energy: -86.766179 where: bonds (distance) C4'-P energy: -17.530 bonds (distance) P-C4' energy: -23.363 flat angles C4'-P-C4' energy: -18.578 flat angles P-C4'-P energy: -11.012 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -202.518534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.518534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.518534 (E_RNA) where: Base-Base interactions energy: -121.540 where: short stacking energy: -53.208 Base-Backbone interact. energy: -0.087 local terms energy: -80.891627 where: bonds (distance) C4'-P energy: -19.262 bonds (distance) P-C4' energy: -22.747 flat angles C4'-P-C4' energy: -18.143 flat angles P-C4'-P energy: -14.177 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -120.431157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.431157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.431157 (E_RNA) where: Base-Base interactions energy: -47.140 where: short stacking energy: -32.411 Base-Backbone interact. energy: -2.215 local terms energy: -71.076003 where: bonds (distance) C4'-P energy: -16.002 bonds (distance) P-C4' energy: -22.303 flat angles C4'-P-C4' energy: -23.830 flat angles P-C4'-P energy: -13.887 tors. eta vs tors. theta energy: 4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -153.658873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.658873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.658873 (E_RNA) where: Base-Base interactions energy: -78.823 where: short stacking energy: -42.752 Base-Backbone interact. energy: -0.468 local terms energy: -74.368118 where: bonds (distance) C4'-P energy: -20.070 bonds (distance) P-C4' energy: -22.913 flat angles C4'-P-C4' energy: -18.338 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -414.190624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.190624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.190624 (E_RNA) where: Base-Base interactions energy: -288.081 where: short stacking energy: -121.356 Base-Backbone interact. energy: -0.834 local terms energy: -125.275478 where: bonds (distance) C4'-P energy: -22.494 bonds (distance) P-C4' energy: -22.581 flat angles C4'-P-C4' energy: -26.162 flat angles P-C4'-P energy: -18.190 tors. eta vs tors. theta energy: -35.849 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: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -395.806216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.806216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.806216 (E_RNA) where: Base-Base interactions energy: -273.528 where: short stacking energy: -126.209 Base-Backbone interact. energy: -0.015 local terms energy: -122.263208 where: bonds (distance) C4'-P energy: -26.539 bonds (distance) P-C4' energy: -20.100 flat angles C4'-P-C4' energy: -25.269 flat angles P-C4'-P energy: -14.166 tors. eta vs tors. theta energy: -36.189 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: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -351.854472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.854472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.854472 (E_RNA) where: Base-Base interactions energy: -241.234 where: short stacking energy: -96.642 Base-Backbone interact. energy: 0.979 local terms energy: -111.599506 where: bonds (distance) C4'-P energy: -20.407 bonds (distance) P-C4' energy: -22.120 flat angles C4'-P-C4' energy: -26.153 flat angles P-C4'-P energy: -15.472 tors. eta vs tors. theta energy: -27.447 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: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -343.520255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.520255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.520255 (E_RNA) where: Base-Base interactions energy: -226.897 where: short stacking energy: -113.186 Base-Backbone interact. energy: -0.203 local terms energy: -116.420723 where: bonds (distance) C4'-P energy: -22.497 bonds (distance) P-C4' energy: -25.915 flat angles C4'-P-C4' energy: -21.600 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -37.610 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: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -259.157692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.157692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.157692 (E_RNA) where: Base-Base interactions energy: -160.619 where: short stacking energy: -85.150 Base-Backbone interact. energy: -1.576 local terms energy: -96.962073 where: bonds (distance) C4'-P energy: -22.158 bonds (distance) P-C4' energy: -15.747 flat angles C4'-P-C4' energy: -24.251 flat angles P-C4'-P energy: -17.494 tors. eta vs tors. theta energy: -17.312 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: 186 Temperature: 1.150000 Total energy: -307.500134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.500134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.500134 (E_RNA) where: Base-Base interactions energy: -187.015 where: short stacking energy: -98.034 Base-Backbone interact. energy: -0.037 local terms energy: -120.448411 where: bonds (distance) C4'-P energy: -20.246 bonds (distance) P-C4' energy: -25.074 flat angles C4'-P-C4' energy: -26.513 flat angles P-C4'-P energy: -17.105 tors. eta vs tors. theta energy: -31.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -255.142675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.142675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.142675 (E_RNA) where: Base-Base interactions energy: -173.009 where: short stacking energy: -87.095 Base-Backbone interact. energy: -0.213 local terms energy: -81.920403 where: bonds (distance) C4'-P energy: -14.417 bonds (distance) P-C4' energy: -16.316 flat angles C4'-P-C4' energy: -19.375 flat angles P-C4'-P energy: -11.309 tors. eta vs tors. theta energy: -20.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -213.892793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.892793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.892793 (E_RNA) where: Base-Base interactions energy: -130.428 where: short stacking energy: -60.829 Base-Backbone interact. energy: 1.187 local terms energy: -84.652046 where: bonds (distance) C4'-P energy: -18.043 bonds (distance) P-C4' energy: -23.829 flat angles C4'-P-C4' energy: -22.936 flat angles P-C4'-P energy: -12.797 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -128.282984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.282984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.282984 (E_RNA) where: Base-Base interactions energy: -55.374 where: short stacking energy: -32.167 Base-Backbone interact. energy: -1.327 local terms energy: -71.582458 where: bonds (distance) C4'-P energy: -16.299 bonds (distance) P-C4' energy: -22.100 flat angles C4'-P-C4' energy: -22.785 flat angles P-C4'-P energy: -11.703 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: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -116.057542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.057542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.057542 (E_RNA) where: Base-Base interactions energy: -41.288 where: short stacking energy: -38.920 Base-Backbone interact. energy: -0.243 local terms energy: -74.526137 where: bonds (distance) C4'-P energy: -17.520 bonds (distance) P-C4' energy: -19.141 flat angles C4'-P-C4' energy: -19.637 flat angles P-C4'-P energy: -16.006 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -408.460127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.460127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.460127 (E_RNA) where: Base-Base interactions energy: -283.779 where: short stacking energy: -118.688 Base-Backbone interact. energy: -0.017 local terms energy: -124.664303 where: bonds (distance) C4'-P energy: -25.404 bonds (distance) P-C4' energy: -23.049 flat angles C4'-P-C4' energy: -21.437 flat angles P-C4'-P energy: -17.122 tors. eta vs tors. theta energy: -37.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -363.646688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.646688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.646688 (E_RNA) where: Base-Base interactions energy: -249.443 where: short stacking energy: -110.981 Base-Backbone interact. energy: 2.325 local terms energy: -116.528855 where: bonds (distance) C4'-P energy: -15.609 bonds (distance) P-C4' energy: -25.305 flat angles C4'-P-C4' energy: -26.881 flat angles P-C4'-P energy: -21.136 tors. eta vs tors. theta energy: -27.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -370.119960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.119960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.119960 (E_RNA) where: Base-Base interactions energy: -253.730 where: short stacking energy: -105.604 Base-Backbone interact. energy: -0.088 local terms energy: -116.301559 where: bonds (distance) C4'-P energy: -23.142 bonds (distance) P-C4' energy: -21.522 flat angles C4'-P-C4' energy: -21.280 flat angles P-C4'-P energy: -19.379 tors. eta vs tors. theta energy: -30.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -355.875493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.875493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.875493 (E_RNA) where: Base-Base interactions energy: -236.894 where: short stacking energy: -121.488 Base-Backbone interact. energy: -0.218 local terms energy: -118.762858 where: bonds (distance) C4'-P energy: -16.651 bonds (distance) P-C4' energy: -23.978 flat angles C4'-P-C4' energy: -24.157 flat angles P-C4'-P energy: -16.051 tors. eta vs tors. theta energy: -37.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -277.074837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.074837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.074837 (E_RNA) where: Base-Base interactions energy: -177.454 where: short stacking energy: -85.892 Base-Backbone interact. energy: -1.125 local terms energy: -98.495650 where: bonds (distance) C4'-P energy: -22.419 bonds (distance) P-C4' energy: -22.319 flat angles C4'-P-C4' energy: -23.719 flat angles P-C4'-P energy: -15.966 tors. eta vs tors. theta energy: -14.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -308.167912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.167912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.167912 (E_RNA) where: Base-Base interactions energy: -196.514 where: short stacking energy: -94.538 Base-Backbone interact. energy: -0.101 local terms energy: -111.552390 where: bonds (distance) C4'-P energy: -21.853 bonds (distance) P-C4' energy: -19.666 flat angles C4'-P-C4' energy: -27.073 flat angles P-C4'-P energy: -22.608 tors. eta vs tors. theta energy: -20.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -237.474299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.474299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.474299 (E_RNA) where: Base-Base interactions energy: -138.227 where: short stacking energy: -68.245 Base-Backbone interact. energy: -0.303 local terms energy: -98.943627 where: bonds (distance) C4'-P energy: -26.177 bonds (distance) P-C4' energy: -26.523 flat angles C4'-P-C4' energy: -18.033 flat angles P-C4'-P energy: -12.399 tors. eta vs tors. theta energy: -15.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -223.740894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.740894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.740894 (E_RNA) where: Base-Base interactions energy: -149.717 where: short stacking energy: -70.888 Base-Backbone interact. energy: -0.212 local terms energy: -73.812207 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -15.908 flat angles C4'-P-C4' energy: -22.427 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -13.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -114.910025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.910025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.910025 (E_RNA) where: Base-Base interactions energy: -45.376 where: short stacking energy: -36.859 Base-Backbone interact. energy: -0.482 local terms energy: -69.051816 where: bonds (distance) C4'-P energy: -19.029 bonds (distance) P-C4' energy: -20.406 flat angles C4'-P-C4' energy: -20.990 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -115.665388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.665388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.665388 (E_RNA) where: Base-Base interactions energy: -34.000 where: short stacking energy: -33.320 Base-Backbone interact. energy: -0.529 local terms energy: -81.135879 where: bonds (distance) C4'-P energy: -23.375 bonds (distance) P-C4' energy: -22.942 flat angles C4'-P-C4' energy: -16.106 flat angles P-C4'-P energy: -9.142 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: 1, replica: 2 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -405.795785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.795785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.795785 (E_RNA) where: Base-Base interactions energy: -278.953 where: short stacking energy: -121.895 Base-Backbone interact. energy: -0.105 local terms energy: -126.738151 where: bonds (distance) C4'-P energy: -22.434 bonds (distance) P-C4' energy: -22.590 flat angles C4'-P-C4' energy: -27.233 flat angles P-C4'-P energy: -21.535 tors. eta vs tors. theta energy: -32.947 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: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -358.608408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.608408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.608408 (E_RNA) where: Base-Base interactions energy: -240.443 where: short stacking energy: -110.104 Base-Backbone interact. energy: 0.699 local terms energy: -118.864227 where: bonds (distance) C4'-P energy: -18.751 bonds (distance) P-C4' energy: -27.221 flat angles C4'-P-C4' energy: -23.597 flat angles P-C4'-P energy: -20.286 tors. eta vs tors. theta energy: -29.009 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: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -359.915659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.915659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.915659 (E_RNA) where: Base-Base interactions energy: -238.961 where: short stacking energy: -113.123 Base-Backbone interact. energy: -1.054 local terms energy: -119.901065 where: bonds (distance) C4'-P energy: -21.826 bonds (distance) P-C4' energy: -20.984 flat angles C4'-P-C4' energy: -26.876 flat angles P-C4'-P energy: -17.730 tors. eta vs tors. theta energy: -32.485 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: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -342.672803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.672803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.672803 (E_RNA) where: Base-Base interactions energy: -227.130 where: short stacking energy: -115.254 Base-Backbone interact. energy: -0.423 local terms energy: -115.119795 where: bonds (distance) C4'-P energy: -20.682 bonds (distance) P-C4' energy: -19.653 flat angles C4'-P-C4' energy: -25.950 flat angles P-C4'-P energy: -14.486 tors. eta vs tors. theta energy: -34.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -330.423676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.423676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.423676 (E_RNA) where: Base-Base interactions energy: -228.045 where: short stacking energy: -113.255 Base-Backbone interact. energy: -0.167 local terms energy: -102.211472 where: bonds (distance) C4'-P energy: -19.160 bonds (distance) P-C4' energy: -21.021 flat angles C4'-P-C4' energy: -20.855 flat angles P-C4'-P energy: -12.471 tors. eta vs tors. theta energy: -28.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -277.461369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.461369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.461369 (E_RNA) where: Base-Base interactions energy: -174.337 where: short stacking energy: -87.495 Base-Backbone interact. energy: -0.688 local terms energy: -102.436129 where: bonds (distance) C4'-P energy: -19.215 bonds (distance) P-C4' energy: -22.646 flat angles C4'-P-C4' energy: -24.145 flat angles P-C4'-P energy: -11.373 tors. eta vs tors. theta energy: -25.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -203.421338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.421338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.421338 (E_RNA) where: Base-Base interactions energy: -106.695 where: short stacking energy: -64.598 Base-Backbone interact. energy: -1.184 local terms energy: -95.542352 where: bonds (distance) C4'-P energy: -20.511 bonds (distance) P-C4' energy: -25.117 flat angles C4'-P-C4' energy: -21.401 flat angles P-C4'-P energy: -17.485 tors. eta vs tors. theta energy: -11.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -249.912592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.912592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.912592 (E_RNA) where: Base-Base interactions energy: -162.657 where: short stacking energy: -86.070 Base-Backbone interact. energy: -0.468 local terms energy: -86.787435 where: bonds (distance) C4'-P energy: -19.501 bonds (distance) P-C4' energy: -19.276 flat angles C4'-P-C4' energy: -17.940 flat angles P-C4'-P energy: -14.565 tors. eta vs tors. theta energy: -15.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -123.928560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.928560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.928560 (E_RNA) where: Base-Base interactions energy: -48.718 where: short stacking energy: -35.285 Base-Backbone interact. energy: -0.166 local terms energy: -75.045250 where: bonds (distance) C4'-P energy: -20.125 bonds (distance) P-C4' energy: -22.827 flat angles C4'-P-C4' energy: -17.934 flat angles P-C4'-P energy: -12.104 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -113.450740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.450740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.450740 (E_RNA) where: Base-Base interactions energy: -47.463 where: short stacking energy: -47.863 Base-Backbone interact. energy: -0.275 local terms energy: -65.713113 where: bonds (distance) C4'-P energy: -21.809 bonds (distance) P-C4' energy: -24.934 flat angles C4'-P-C4' energy: -15.822 flat angles P-C4'-P energy: -9.237 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: 1, replica: 2 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -404.138876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.138876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.138876 (E_RNA) where: Base-Base interactions energy: -272.868 where: short stacking energy: -126.773 Base-Backbone interact. energy: -0.790 local terms energy: -130.481301 where: bonds (distance) C4'-P energy: -22.012 bonds (distance) P-C4' energy: -25.712 flat angles C4'-P-C4' energy: -24.554 flat angles P-C4'-P energy: -21.825 tors. eta vs tors. theta energy: -36.378 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: 2, replica: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -370.480474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.480474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.480474 (E_RNA) where: Base-Base interactions energy: -244.656 where: short stacking energy: -117.520 Base-Backbone interact. energy: -0.561 local terms energy: -125.263039 where: bonds (distance) C4'-P energy: -21.720 bonds (distance) P-C4' energy: -26.272 flat angles C4'-P-C4' energy: -25.037 flat angles P-C4'-P energy: -20.979 tors. eta vs tors. theta energy: -31.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -369.232251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.232251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.232251 (E_RNA) where: Base-Base interactions energy: -245.548 where: short stacking energy: -106.425 Base-Backbone interact. energy: 0.138 local terms energy: -123.822155 where: bonds (distance) C4'-P energy: -22.200 bonds (distance) P-C4' energy: -26.719 flat angles C4'-P-C4' energy: -27.370 flat angles P-C4'-P energy: -19.673 tors. eta vs tors. theta energy: -27.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -345.308752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.308752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.308752 (E_RNA) where: Base-Base interactions energy: -226.214 where: short stacking energy: -103.337 Base-Backbone interact. energy: -0.111 local terms energy: -118.983855 where: bonds (distance) C4'-P energy: -21.602 bonds (distance) P-C4' energy: -24.503 flat angles C4'-P-C4' energy: -25.886 flat angles P-C4'-P energy: -15.189 tors. eta vs tors. theta energy: -31.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -324.377520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.377520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.377520 (E_RNA) where: Base-Base interactions energy: -218.634 where: short stacking energy: -109.220 Base-Backbone interact. energy: -0.114 local terms energy: -105.629616 where: bonds (distance) C4'-P energy: -20.176 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -21.266 flat angles P-C4'-P energy: -17.166 tors. eta vs tors. theta energy: -30.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -209.468069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.468069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.468069 (E_RNA) where: Base-Base interactions energy: -114.931 where: short stacking energy: -71.233 Base-Backbone interact. energy: -0.263 local terms energy: -94.273654 where: bonds (distance) C4'-P energy: -19.466 bonds (distance) P-C4' energy: -21.935 flat angles C4'-P-C4' energy: -23.634 flat angles P-C4'-P energy: -20.023 tors. eta vs tors. theta energy: -9.216 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: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -249.377425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.377425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.377425 (E_RNA) where: Base-Base interactions energy: -161.648 where: short stacking energy: -78.448 Base-Backbone interact. energy: -0.096 local terms energy: -87.633394 where: bonds (distance) C4'-P energy: -18.411 bonds (distance) P-C4' energy: -21.242 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -16.431 tors. eta vs tors. theta energy: -15.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -232.900265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.900265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.900265 (E_RNA) where: Base-Base interactions energy: -135.852 where: short stacking energy: -72.066 Base-Backbone interact. energy: -0.094 local terms energy: -96.954276 where: bonds (distance) C4'-P energy: -18.064 bonds (distance) P-C4' energy: -27.710 flat angles C4'-P-C4' energy: -24.038 flat angles P-C4'-P energy: -13.246 tors. eta vs tors. theta energy: -13.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -132.851264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.851264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.851264 (E_RNA) where: Base-Base interactions energy: -47.890 where: short stacking energy: -46.801 Base-Backbone interact. energy: -0.142 local terms energy: -84.819343 where: bonds (distance) C4'-P energy: -19.343 bonds (distance) P-C4' energy: -24.088 flat angles C4'-P-C4' energy: -26.180 flat angles P-C4'-P energy: -12.917 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -116.467158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.467158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.467158 (E_RNA) where: Base-Base interactions energy: -37.351 where: short stacking energy: -33.863 Base-Backbone interact. energy: -0.432 local terms energy: -78.684039 where: bonds (distance) C4'-P energy: -20.087 bonds (distance) P-C4' energy: -23.695 flat angles C4'-P-C4' energy: -17.761 flat angles P-C4'-P energy: -14.455 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: 1, replica: 2 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -397.743998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.743998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.743998 (E_RNA) where: Base-Base interactions energy: -269.833 where: short stacking energy: -123.557 Base-Backbone interact. energy: -0.570 local terms energy: -127.341459 where: bonds (distance) C4'-P energy: -24.629 bonds (distance) P-C4' energy: -29.595 flat angles C4'-P-C4' energy: -17.786 flat angles P-C4'-P energy: -20.089 tors. eta vs tors. theta energy: -35.242 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: 3 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -385.069056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.069056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.069056 (E_RNA) where: Base-Base interactions energy: -253.167 where: short stacking energy: -119.408 Base-Backbone interact. energy: -0.015 local terms energy: -131.886784 where: bonds (distance) C4'-P energy: -23.920 bonds (distance) P-C4' energy: -24.640 flat angles C4'-P-C4' energy: -28.802 flat angles P-C4'-P energy: -19.495 tors. eta vs tors. theta energy: -35.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -376.291803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.291803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.291803 (E_RNA) where: Base-Base interactions energy: -255.884 where: short stacking energy: -114.495 Base-Backbone interact. energy: -0.542 local terms energy: -119.866415 where: bonds (distance) C4'-P energy: -21.218 bonds (distance) P-C4' energy: -22.192 flat angles C4'-P-C4' energy: -24.531 flat angles P-C4'-P energy: -18.783 tors. eta vs tors. theta energy: -33.143 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: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -347.738171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.738171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.738171 (E_RNA) where: Base-Base interactions energy: -230.017 where: short stacking energy: -106.746 Base-Backbone interact. energy: -0.958 local terms energy: -116.762665 where: bonds (distance) C4'-P energy: -26.081 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -26.231 flat angles P-C4'-P energy: -12.025 tors. eta vs tors. theta energy: -36.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -307.375826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.375826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.375826 (E_RNA) where: Base-Base interactions energy: -196.069 where: short stacking energy: -93.362 Base-Backbone interact. energy: -0.011 local terms energy: -111.295423 where: bonds (distance) C4'-P energy: -23.313 bonds (distance) P-C4' energy: -24.864 flat angles C4'-P-C4' energy: -23.644 flat angles P-C4'-P energy: -15.245 tors. eta vs tors. theta energy: -24.229 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: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -261.668828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.668828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.668828 (E_RNA) where: Base-Base interactions energy: -165.388 where: short stacking energy: -79.508 Base-Backbone interact. energy: -0.575 local terms energy: -95.706005 where: bonds (distance) C4'-P energy: -21.747 bonds (distance) P-C4' energy: -21.928 flat angles C4'-P-C4' energy: -20.661 flat angles P-C4'-P energy: -15.814 tors. eta vs tors. theta energy: -15.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -248.320414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.320414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.320414 (E_RNA) where: Base-Base interactions energy: -151.411 where: short stacking energy: -74.771 Base-Backbone interact. energy: -0.356 local terms energy: -96.553922 where: bonds (distance) C4'-P energy: -19.988 bonds (distance) P-C4' energy: -24.552 flat angles C4'-P-C4' energy: -19.113 flat angles P-C4'-P energy: -20.836 tors. eta vs tors. theta energy: -12.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -233.851038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.851038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.851038 (E_RNA) where: Base-Base interactions energy: -138.549 where: short stacking energy: -66.115 Base-Backbone interact. energy: 1.626 local terms energy: -96.928576 where: bonds (distance) C4'-P energy: -22.116 bonds (distance) P-C4' energy: -23.024 flat angles C4'-P-C4' energy: -20.400 flat angles P-C4'-P energy: -16.379 tors. eta vs tors. theta energy: -15.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -121.792002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.792002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.792002 (E_RNA) where: Base-Base interactions energy: -45.311 where: short stacking energy: -43.515 Base-Backbone interact. energy: 0.040 local terms energy: -76.520869 where: bonds (distance) C4'-P energy: -19.757 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -21.304 flat angles P-C4'-P energy: -16.701 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -175.371350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.371350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.371350 (E_RNA) where: Base-Base interactions energy: -102.746 where: short stacking energy: -58.182 Base-Backbone interact. energy: 2.123 local terms energy: -74.749049 where: bonds (distance) C4'-P energy: -16.922 bonds (distance) P-C4' energy: -22.028 flat angles C4'-P-C4' energy: -19.137 flat angles P-C4'-P energy: -7.527 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: 1, replica: 2 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -420.578010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.578010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.578010 (E_RNA) where: Base-Base interactions energy: -285.349 where: short stacking energy: -117.733 Base-Backbone interact. energy: -0.478 local terms energy: -134.750915 where: bonds (distance) C4'-P energy: -24.927 bonds (distance) P-C4' energy: -25.214 flat angles C4'-P-C4' energy: -25.718 flat angles P-C4'-P energy: -18.496 tors. eta vs tors. theta energy: -40.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -399.809998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.809998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.809998 (E_RNA) where: Base-Base interactions energy: -273.766 where: short stacking energy: -121.719 Base-Backbone interact. energy: -0.639 local terms energy: -125.404887 where: bonds (distance) C4'-P energy: -20.994 bonds (distance) P-C4' energy: -23.475 flat angles C4'-P-C4' energy: -27.449 flat angles P-C4'-P energy: -16.111 tors. eta vs tors. theta energy: -37.376 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: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -364.590600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.590600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.590600 (E_RNA) where: Base-Base interactions energy: -243.823 where: short stacking energy: -114.565 Base-Backbone interact. energy: -0.640 local terms energy: -120.128304 where: bonds (distance) C4'-P energy: -19.272 bonds (distance) P-C4' energy: -26.589 flat angles C4'-P-C4' energy: -21.698 flat angles P-C4'-P energy: -18.607 tors. eta vs tors. theta energy: -33.963 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: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -353.190248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.190248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.190248 (E_RNA) where: Base-Base interactions energy: -227.210 where: short stacking energy: -112.127 Base-Backbone interact. energy: -0.017 local terms energy: -125.963131 where: bonds (distance) C4'-P energy: -26.103 bonds (distance) P-C4' energy: -27.409 flat angles C4'-P-C4' energy: -26.009 flat angles P-C4'-P energy: -16.960 tors. eta vs tors. theta energy: -29.483 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: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -311.658271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.658271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.658271 (E_RNA) where: Base-Base interactions energy: -205.609 where: short stacking energy: -100.052 Base-Backbone interact. energy: -0.795 local terms energy: -105.254762 where: bonds (distance) C4'-P energy: -16.108 bonds (distance) P-C4' energy: -20.857 flat angles C4'-P-C4' energy: -23.258 flat angles P-C4'-P energy: -16.494 tors. eta vs tors. theta energy: -28.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -269.659278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.659278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.659278 (E_RNA) where: Base-Base interactions energy: -176.479 where: short stacking energy: -77.345 Base-Backbone interact. energy: -0.868 local terms energy: -92.312394 where: bonds (distance) C4'-P energy: -18.248 bonds (distance) P-C4' energy: -21.660 flat angles C4'-P-C4' energy: -28.470 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -12.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -261.024800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.024800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.024800 (E_RNA) where: Base-Base interactions energy: -170.995 where: short stacking energy: -76.460 Base-Backbone interact. energy: -0.690 local terms energy: -89.339814 where: bonds (distance) C4'-P energy: -19.558 bonds (distance) P-C4' energy: -19.896 flat angles C4'-P-C4' energy: -18.080 flat angles P-C4'-P energy: -15.727 tors. eta vs tors. theta energy: -16.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -237.500491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.500491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.500491 (E_RNA) where: Base-Base interactions energy: -149.598 where: short stacking energy: -70.537 Base-Backbone interact. energy: -1.070 local terms energy: -86.833389 where: bonds (distance) C4'-P energy: -19.271 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -23.041 flat angles P-C4'-P energy: -16.326 tors. eta vs tors. theta energy: -12.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -127.903691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.903691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.903691 (E_RNA) where: Base-Base interactions energy: -56.198 where: short stacking energy: -44.693 Base-Backbone interact. energy: 0.183 local terms energy: -71.888651 where: bonds (distance) C4'-P energy: -17.390 bonds (distance) P-C4' energy: -20.663 flat angles C4'-P-C4' energy: -23.526 flat angles P-C4'-P energy: -7.751 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: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -194.749686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.749686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.749686 (E_RNA) where: Base-Base interactions energy: -109.075 where: short stacking energy: -48.505 Base-Backbone interact. energy: 1.250 local terms energy: -86.925065 where: bonds (distance) C4'-P energy: -22.362 bonds (distance) P-C4' energy: -23.032 flat angles C4'-P-C4' energy: -23.716 flat angles P-C4'-P energy: -8.778 tors. eta vs tors. theta energy: -9.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -411.060612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.060612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.060612 (E_RNA) where: Base-Base interactions energy: -289.423 where: short stacking energy: -124.348 Base-Backbone interact. energy: -0.063 local terms energy: -121.573855 where: bonds (distance) C4'-P energy: -22.071 bonds (distance) P-C4' energy: -20.749 flat angles C4'-P-C4' energy: -26.618 flat angles P-C4'-P energy: -18.117 tors. eta vs tors. theta energy: -34.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -408.077660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.077660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.077660 (E_RNA) where: Base-Base interactions energy: -275.587 where: short stacking energy: -122.819 Base-Backbone interact. energy: -0.691 local terms energy: -131.799931 where: bonds (distance) C4'-P energy: -23.482 bonds (distance) P-C4' energy: -25.205 flat angles C4'-P-C4' energy: -21.779 flat angles P-C4'-P energy: -22.577 tors. eta vs tors. theta energy: -38.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -351.421733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.421733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.421733 (E_RNA) where: Base-Base interactions energy: -221.462 where: short stacking energy: -110.948 Base-Backbone interact. energy: -0.740 local terms energy: -129.220282 where: bonds (distance) C4'-P energy: -25.085 bonds (distance) P-C4' energy: -26.604 flat angles C4'-P-C4' energy: -27.059 flat angles P-C4'-P energy: -19.426 tors. eta vs tors. theta energy: -31.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -362.065098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.065098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.065098 (E_RNA) where: Base-Base interactions energy: -259.295 where: short stacking energy: -112.682 Base-Backbone interact. energy: -0.074 local terms energy: -102.696573 where: bonds (distance) C4'-P energy: -17.472 bonds (distance) P-C4' energy: -17.162 flat angles C4'-P-C4' energy: -18.710 flat angles P-C4'-P energy: -15.509 tors. eta vs tors. theta energy: -33.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -267.211327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.211327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.211327 (E_RNA) where: Base-Base interactions energy: -172.068 where: short stacking energy: -91.599 Base-Backbone interact. energy: -0.924 local terms energy: -94.219840 where: bonds (distance) C4'-P energy: -15.294 bonds (distance) P-C4' energy: -20.215 flat angles C4'-P-C4' energy: -24.089 flat angles P-C4'-P energy: -16.568 tors. eta vs tors. theta energy: -18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -297.082421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.082421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.082421 (E_RNA) where: Base-Base interactions energy: -189.223 where: short stacking energy: -96.875 Base-Backbone interact. energy: -0.111 local terms energy: -107.748019 where: bonds (distance) C4'-P energy: -24.164 bonds (distance) P-C4' energy: -23.640 flat angles C4'-P-C4' energy: -24.040 flat angles P-C4'-P energy: -13.237 tors. eta vs tors. theta energy: -22.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -252.313246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.313246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.313246 (E_RNA) where: Base-Base interactions energy: -164.294 where: short stacking energy: -68.000 Base-Backbone interact. energy: -0.050 local terms energy: -87.969162 where: bonds (distance) C4'-P energy: -26.571 bonds (distance) P-C4' energy: -19.138 flat angles C4'-P-C4' energy: -10.868 flat angles P-C4'-P energy: -13.884 tors. eta vs tors. theta energy: -17.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -214.196821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.196821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.196821 (E_RNA) where: Base-Base interactions energy: -133.869 where: short stacking energy: -62.312 Base-Backbone interact. energy: 0.607 local terms energy: -80.935326 where: bonds (distance) C4'-P energy: -14.928 bonds (distance) P-C4' energy: -24.163 flat angles C4'-P-C4' energy: -23.662 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -8.060 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: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -192.384598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.384598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.384598 (E_RNA) where: Base-Base interactions energy: -111.674 where: short stacking energy: -54.028 Base-Backbone interact. energy: -1.024 local terms energy: -79.686676 where: bonds (distance) C4'-P energy: -20.530 bonds (distance) P-C4' energy: -20.110 flat angles C4'-P-C4' energy: -19.348 flat angles P-C4'-P energy: -15.923 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: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -127.341251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.341251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.341251 (E_RNA) where: Base-Base interactions energy: -60.571 where: short stacking energy: -48.564 Base-Backbone interact. energy: 0.479 local terms energy: -67.248579 where: bonds (distance) C4'-P energy: -22.141 bonds (distance) P-C4' energy: -20.467 flat angles C4'-P-C4' energy: -16.073 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -416.299847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.299847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.299847 (E_RNA) where: Base-Base interactions energy: -290.331 where: short stacking energy: -127.704 Base-Backbone interact. energy: -2.052 local terms energy: -123.917134 where: bonds (distance) C4'-P energy: -20.973 bonds (distance) P-C4' energy: -18.901 flat angles C4'-P-C4' energy: -26.533 flat angles P-C4'-P energy: -20.272 tors. eta vs tors. theta energy: -37.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -394.998192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.998192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.998192 (E_RNA) where: Base-Base interactions energy: -266.311 where: short stacking energy: -112.485 Base-Backbone interact. energy: -1.274 local terms energy: -127.413361 where: bonds (distance) C4'-P energy: -23.160 bonds (distance) P-C4' energy: -24.513 flat angles C4'-P-C4' energy: -25.797 flat angles P-C4'-P energy: -21.315 tors. eta vs tors. theta energy: -32.629 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: 4 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -362.756178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.756178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.756178 (E_RNA) where: Base-Base interactions energy: -239.809 where: short stacking energy: -119.501 Base-Backbone interact. energy: -0.281 local terms energy: -122.666438 where: bonds (distance) C4'-P energy: -23.084 bonds (distance) P-C4' energy: -18.083 flat angles C4'-P-C4' energy: -27.339 flat angles P-C4'-P energy: -18.689 tors. eta vs tors. theta energy: -35.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -358.014309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.014309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.014309 (E_RNA) where: Base-Base interactions energy: -250.393 where: short stacking energy: -103.375 Base-Backbone interact. energy: -1.369 local terms energy: -106.252000 where: bonds (distance) C4'-P energy: -22.627 bonds (distance) P-C4' energy: -23.709 flat angles C4'-P-C4' energy: -25.217 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -24.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -264.165369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.165369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.165369 (E_RNA) where: Base-Base interactions energy: -169.259 where: short stacking energy: -93.178 Base-Backbone interact. energy: -0.245 local terms energy: -94.661774 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -23.530 flat angles C4'-P-C4' energy: -23.929 flat angles P-C4'-P energy: -17.830 tors. eta vs tors. theta energy: -17.574 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: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -296.466455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.466455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.466455 (E_RNA) where: Base-Base interactions energy: -202.164 where: short stacking energy: -96.566 Base-Backbone interact. energy: -0.400 local terms energy: -93.902176 where: bonds (distance) C4'-P energy: -21.109 bonds (distance) P-C4' energy: -18.896 flat angles C4'-P-C4' energy: -19.102 flat angles P-C4'-P energy: -13.789 tors. eta vs tors. theta energy: -21.005 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: 7, replica: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -241.360249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.360249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.360249 (E_RNA) where: Base-Base interactions energy: -156.899 where: short stacking energy: -66.547 Base-Backbone interact. energy: -0.300 local terms energy: -84.160808 where: bonds (distance) C4'-P energy: -23.445 bonds (distance) P-C4' energy: -18.418 flat angles C4'-P-C4' energy: -19.997 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -13.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -201.156487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.156487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.156487 (E_RNA) where: Base-Base interactions energy: -113.026 where: short stacking energy: -69.666 Base-Backbone interact. energy: -0.714 local terms energy: -87.416683 where: bonds (distance) C4'-P energy: -16.026 bonds (distance) P-C4' energy: -21.822 flat angles C4'-P-C4' energy: -19.706 flat angles P-C4'-P energy: -19.155 tors. eta vs tors. theta energy: -10.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -192.326082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.326082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.326082 (E_RNA) where: Base-Base interactions energy: -107.000 where: short stacking energy: -59.770 Base-Backbone interact. energy: -0.315 local terms energy: -85.011209 where: bonds (distance) C4'-P energy: -18.766 bonds (distance) P-C4' energy: -21.337 flat angles C4'-P-C4' energy: -23.580 flat angles P-C4'-P energy: -14.805 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -123.209182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.209182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.209182 (E_RNA) where: Base-Base interactions energy: -46.095 where: short stacking energy: -43.865 Base-Backbone interact. energy: -0.404 local terms energy: -76.710173 where: bonds (distance) C4'-P energy: -17.221 bonds (distance) P-C4' energy: -21.528 flat angles C4'-P-C4' energy: -19.460 flat angles P-C4'-P energy: -15.514 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: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -408.555292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.555292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.555292 (E_RNA) where: Base-Base interactions energy: -279.798 where: short stacking energy: -121.329 Base-Backbone interact. energy: -1.534 local terms energy: -127.223303 where: bonds (distance) C4'-P energy: -25.938 bonds (distance) P-C4' energy: -21.997 flat angles C4'-P-C4' energy: -25.823 flat angles P-C4'-P energy: -20.345 tors. eta vs tors. theta energy: -33.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -407.142709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.142709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.142709 (E_RNA) where: Base-Base interactions energy: -276.101 where: short stacking energy: -119.050 Base-Backbone interact. energy: -0.381 local terms energy: -130.660523 where: bonds (distance) C4'-P energy: -20.625 bonds (distance) P-C4' energy: -24.520 flat angles C4'-P-C4' energy: -26.173 flat angles P-C4'-P energy: -18.426 tors. eta vs tors. theta energy: -40.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -376.314029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.314029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.314029 (E_RNA) where: Base-Base interactions energy: -253.040 where: short stacking energy: -115.442 Base-Backbone interact. energy: -0.352 local terms energy: -122.921560 where: bonds (distance) C4'-P energy: -23.429 bonds (distance) P-C4' energy: -21.158 flat angles C4'-P-C4' energy: -26.630 flat angles P-C4'-P energy: -18.387 tors. eta vs tors. theta energy: -33.317 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: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -347.582026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.582026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.582026 (E_RNA) where: Base-Base interactions energy: -223.583 where: short stacking energy: -109.136 Base-Backbone interact. energy: -0.011 local terms energy: -123.987430 where: bonds (distance) C4'-P energy: -26.368 bonds (distance) P-C4' energy: -27.555 flat angles C4'-P-C4' energy: -24.870 flat angles P-C4'-P energy: -13.723 tors. eta vs tors. theta energy: -31.473 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: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -318.860417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.860417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.860417 (E_RNA) where: Base-Base interactions energy: -213.158 where: short stacking energy: -111.157 Base-Backbone interact. energy: -0.012 local terms energy: -105.690251 where: bonds (distance) C4'-P energy: -17.160 bonds (distance) P-C4' energy: -17.476 flat angles C4'-P-C4' energy: -23.867 flat angles P-C4'-P energy: -13.278 tors. eta vs tors. theta energy: -33.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -256.691481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.691481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.691481 (E_RNA) where: Base-Base interactions energy: -163.178 where: short stacking energy: -77.741 Base-Backbone interact. energy: -0.303 local terms energy: -93.210786 where: bonds (distance) C4'-P energy: -20.966 bonds (distance) P-C4' energy: -22.035 flat angles C4'-P-C4' energy: -18.679 flat angles P-C4'-P energy: -18.738 tors. eta vs tors. theta energy: -12.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -212.211455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.211455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.211455 (E_RNA) where: Base-Base interactions energy: -126.093 where: short stacking energy: -58.736 Base-Backbone interact. energy: -0.219 local terms energy: -85.899589 where: bonds (distance) C4'-P energy: -16.719 bonds (distance) P-C4' energy: -26.459 flat angles C4'-P-C4' energy: -17.617 flat angles P-C4'-P energy: -15.751 tors. eta vs tors. theta energy: -9.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -254.502943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.502943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.502943 (E_RNA) where: Base-Base interactions energy: -167.711 where: short stacking energy: -72.378 Base-Backbone interact. energy: -0.563 local terms energy: -86.229324 where: bonds (distance) C4'-P energy: -18.501 bonds (distance) P-C4' energy: -21.358 flat angles C4'-P-C4' energy: -16.918 flat angles P-C4'-P energy: -13.925 tors. eta vs tors. theta energy: -15.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -214.075902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.075902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.075902 (E_RNA) where: Base-Base interactions energy: -130.874 where: short stacking energy: -59.005 Base-Backbone interact. energy: -1.045 local terms energy: -82.156583 where: bonds (distance) C4'-P energy: -20.196 bonds (distance) P-C4' energy: -18.858 flat angles C4'-P-C4' energy: -24.964 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -7.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -116.615177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.615177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.615177 (E_RNA) where: Base-Base interactions energy: -48.823 where: short stacking energy: -44.710 Base-Backbone interact. energy: 3.116 local terms energy: -70.907704 where: bonds (distance) C4'-P energy: -18.820 bonds (distance) P-C4' energy: -22.502 flat angles C4'-P-C4' energy: -15.439 flat angles P-C4'-P energy: -10.473 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: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -389.411801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.411801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.411801 (E_RNA) where: Base-Base interactions energy: -274.364 where: short stacking energy: -110.390 Base-Backbone interact. energy: -0.152 local terms energy: -114.895689 where: bonds (distance) C4'-P energy: -18.075 bonds (distance) P-C4' energy: -25.161 flat angles C4'-P-C4' energy: -25.136 flat angles P-C4'-P energy: -17.586 tors. eta vs tors. theta energy: -28.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -413.578095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.578095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.578095 (E_RNA) where: Base-Base interactions energy: -287.963 where: short stacking energy: -121.063 Base-Backbone interact. energy: -1.357 local terms energy: -124.258471 where: bonds (distance) C4'-P energy: -21.347 bonds (distance) P-C4' energy: -21.425 flat angles C4'-P-C4' energy: -25.674 flat angles P-C4'-P energy: -16.748 tors. eta vs tors. theta energy: -39.065 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: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -392.019656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.019656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.019656 (E_RNA) where: Base-Base interactions energy: -267.767 where: short stacking energy: -103.273 Base-Backbone interact. energy: -0.425 local terms energy: -123.827277 where: bonds (distance) C4'-P energy: -20.720 bonds (distance) P-C4' energy: -24.650 flat angles C4'-P-C4' energy: -24.868 flat angles P-C4'-P energy: -17.210 tors. eta vs tors. theta energy: -36.379 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: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -351.104211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.104211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.104211 (E_RNA) where: Base-Base interactions energy: -242.030 where: short stacking energy: -115.117 Base-Backbone interact. energy: -0.891 local terms energy: -108.183070 where: bonds (distance) C4'-P energy: -22.169 bonds (distance) P-C4' energy: -17.791 flat angles C4'-P-C4' energy: -21.533 flat angles P-C4'-P energy: -11.945 tors. eta vs tors. theta energy: -34.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -320.614431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.614431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.614431 (E_RNA) where: Base-Base interactions energy: -215.909 where: short stacking energy: -102.018 Base-Backbone interact. energy: -0.106 local terms energy: -104.599320 where: bonds (distance) C4'-P energy: -21.277 bonds (distance) P-C4' energy: -24.463 flat angles C4'-P-C4' energy: -19.233 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -31.688 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: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -205.474061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.474061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.474061 (E_RNA) where: Base-Base interactions energy: -124.831 where: short stacking energy: -68.803 Base-Backbone interact. energy: -0.185 local terms energy: -80.457979 where: bonds (distance) C4'-P energy: -17.368 bonds (distance) P-C4' energy: -24.315 flat angles C4'-P-C4' energy: -19.967 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -9.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -245.295235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.295235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.295235 (E_RNA) where: Base-Base interactions energy: -142.613 where: short stacking energy: -60.164 Base-Backbone interact. energy: -0.735 local terms energy: -101.948052 where: bonds (distance) C4'-P energy: -17.644 bonds (distance) P-C4' energy: -26.039 flat angles C4'-P-C4' energy: -22.561 flat angles P-C4'-P energy: -20.751 tors. eta vs tors. theta energy: -14.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -197.567113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.567113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.567113 (E_RNA) where: Base-Base interactions energy: -119.702 where: short stacking energy: -58.202 Base-Backbone interact. energy: -0.030 local terms energy: -77.835928 where: bonds (distance) C4'-P energy: -22.681 bonds (distance) P-C4' energy: -17.833 flat angles C4'-P-C4' energy: -17.340 flat angles P-C4'-P energy: -17.991 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -225.253532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.253532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.253532 (E_RNA) where: Base-Base interactions energy: -138.708 where: short stacking energy: -70.601 Base-Backbone interact. energy: -0.484 local terms energy: -86.061050 where: bonds (distance) C4'-P energy: -19.225 bonds (distance) P-C4' energy: -25.672 flat angles C4'-P-C4' energy: -15.514 flat angles P-C4'-P energy: -14.937 tors. eta vs tors. theta energy: -10.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -141.765064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.765064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.765064 (E_RNA) where: Base-Base interactions energy: -78.409 where: short stacking energy: -37.578 Base-Backbone interact. energy: -0.563 local terms energy: -62.793361 where: bonds (distance) C4'-P energy: -21.565 bonds (distance) P-C4' energy: -17.379 flat angles C4'-P-C4' energy: -11.659 flat angles P-C4'-P energy: -10.038 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -412.455976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.455976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.455976 (E_RNA) where: Base-Base interactions energy: -280.201 where: short stacking energy: -117.143 Base-Backbone interact. energy: -0.071 local terms energy: -132.183497 where: bonds (distance) C4'-P energy: -22.203 bonds (distance) P-C4' energy: -26.648 flat angles C4'-P-C4' energy: -30.185 flat angles P-C4'-P energy: -15.749 tors. eta vs tors. theta energy: -37.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -379.079661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.079661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.079661 (E_RNA) where: Base-Base interactions energy: -253.245 where: short stacking energy: -114.459 Base-Backbone interact. energy: -0.081 local terms energy: -125.754529 where: bonds (distance) C4'-P energy: -27.146 bonds (distance) P-C4' energy: -20.893 flat angles C4'-P-C4' energy: -23.250 flat angles P-C4'-P energy: -19.144 tors. eta vs tors. theta energy: -35.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -356.522764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.522764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.522764 (E_RNA) where: Base-Base interactions energy: -232.540 where: short stacking energy: -108.801 Base-Backbone interact. energy: -0.799 local terms energy: -123.183827 where: bonds (distance) C4'-P energy: -23.617 bonds (distance) P-C4' energy: -27.969 flat angles C4'-P-C4' energy: -25.557 flat angles P-C4'-P energy: -13.998 tors. eta vs tors. theta energy: -32.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -390.559181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.559181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.559181 (E_RNA) where: Base-Base interactions energy: -269.039 where: short stacking energy: -117.375 Base-Backbone interact. energy: -0.901 local terms energy: -120.619128 where: bonds (distance) C4'-P energy: -21.957 bonds (distance) P-C4' energy: -20.064 flat angles C4'-P-C4' energy: -24.584 flat angles P-C4'-P energy: -20.129 tors. eta vs tors. theta energy: -33.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -323.197881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.197881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.197881 (E_RNA) where: Base-Base interactions energy: -210.102 where: short stacking energy: -110.354 Base-Backbone interact. energy: -0.964 local terms energy: -112.132299 where: bonds (distance) C4'-P energy: -19.954 bonds (distance) P-C4' energy: -22.815 flat angles C4'-P-C4' energy: -23.151 flat angles P-C4'-P energy: -16.756 tors. eta vs tors. theta energy: -29.456 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: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -219.063473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.063473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.063473 (E_RNA) where: Base-Base interactions energy: -124.880 where: short stacking energy: -77.378 Base-Backbone interact. energy: 3.150 local terms energy: -97.333419 where: bonds (distance) C4'-P energy: -22.066 bonds (distance) P-C4' energy: -23.224 flat angles C4'-P-C4' energy: -19.022 flat angles P-C4'-P energy: -17.496 tors. eta vs tors. theta energy: -15.526 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: 196 Temperature: 1.200000 Total energy: -245.774421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.774421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.774421 (E_RNA) where: Base-Base interactions energy: -165.632 where: short stacking energy: -75.232 Base-Backbone interact. energy: -0.488 local terms energy: -79.654082 where: bonds (distance) C4'-P energy: -22.388 bonds (distance) P-C4' energy: -19.997 flat angles C4'-P-C4' energy: -16.598 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -14.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -228.141499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.141499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.141499 (E_RNA) where: Base-Base interactions energy: -148.307 where: short stacking energy: -71.468 Base-Backbone interact. energy: -0.736 local terms energy: -79.098578 where: bonds (distance) C4'-P energy: -20.884 bonds (distance) P-C4' energy: -18.110 flat angles C4'-P-C4' energy: -16.473 flat angles P-C4'-P energy: -11.689 tors. eta vs tors. theta energy: -11.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -227.134413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.134413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.134413 (E_RNA) where: Base-Base interactions energy: -146.786 where: short stacking energy: -55.652 Base-Backbone interact. energy: -0.365 local terms energy: -79.983257 where: bonds (distance) C4'-P energy: -19.056 bonds (distance) P-C4' energy: -19.839 flat angles C4'-P-C4' energy: -19.669 flat angles P-C4'-P energy: -15.553 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -113.063022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.063022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.063022 (E_RNA) where: Base-Base interactions energy: -36.137 where: short stacking energy: -37.408 Base-Backbone interact. energy: -0.818 local terms energy: -76.108291 where: bonds (distance) C4'-P energy: -16.647 bonds (distance) P-C4' energy: -17.599 flat angles C4'-P-C4' energy: -24.219 flat angles P-C4'-P energy: -19.620 tors. eta vs tors. theta energy: 1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -419.821121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.821121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.821121 (E_RNA) where: Base-Base interactions energy: -290.659 where: short stacking energy: -123.732 Base-Backbone interact. energy: -2.401 local terms energy: -126.761634 where: bonds (distance) C4'-P energy: -24.235 bonds (distance) P-C4' energy: -21.485 flat angles C4'-P-C4' energy: -26.235 flat angles P-C4'-P energy: -18.273 tors. eta vs tors. theta energy: -36.534 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: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -388.260429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.260429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.260429 (E_RNA) where: Base-Base interactions energy: -262.037 where: short stacking energy: -114.651 Base-Backbone interact. energy: -0.734 local terms energy: -125.488523 where: bonds (distance) C4'-P energy: -22.153 bonds (distance) P-C4' energy: -24.221 flat angles C4'-P-C4' energy: -27.643 flat angles P-C4'-P energy: -14.380 tors. eta vs tors. theta energy: -37.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -362.028692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.028692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.028692 (E_RNA) where: Base-Base interactions energy: -241.634 where: short stacking energy: -118.372 Base-Backbone interact. energy: -0.512 local terms energy: -119.882387 where: bonds (distance) C4'-P energy: -22.409 bonds (distance) P-C4' energy: -25.875 flat angles C4'-P-C4' energy: -22.858 flat angles P-C4'-P energy: -16.552 tors. eta vs tors. theta energy: -32.189 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: 5 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -347.100420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.100420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.100420 (E_RNA) where: Base-Base interactions energy: -223.356 where: short stacking energy: -118.420 Base-Backbone interact. energy: -0.637 local terms energy: -123.107239 where: bonds (distance) C4'-P energy: -22.546 bonds (distance) P-C4' energy: -25.940 flat angles C4'-P-C4' energy: -26.588 flat angles P-C4'-P energy: -15.153 tors. eta vs tors. theta energy: -32.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -344.700732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.700732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.700732 (E_RNA) where: Base-Base interactions energy: -228.467 where: short stacking energy: -97.259 Base-Backbone interact. energy: 1.370 local terms energy: -117.603283 where: bonds (distance) C4'-P energy: -27.806 bonds (distance) P-C4' energy: -24.900 flat angles C4'-P-C4' energy: -20.551 flat angles P-C4'-P energy: -13.532 tors. eta vs tors. theta energy: -30.814 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: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -210.838709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.838709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.838709 (E_RNA) where: Base-Base interactions energy: -123.238 where: short stacking energy: -73.361 Base-Backbone interact. energy: 1.198 local terms energy: -88.798695 where: bonds (distance) C4'-P energy: -21.639 bonds (distance) P-C4' energy: -22.131 flat angles C4'-P-C4' energy: -24.634 flat angles P-C4'-P energy: -13.647 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: 7, replica: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -238.593123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.593123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.593123 (E_RNA) where: Base-Base interactions energy: -146.582 where: short stacking energy: -65.609 Base-Backbone interact. energy: -0.186 local terms energy: -91.824692 where: bonds (distance) C4'-P energy: -24.405 bonds (distance) P-C4' energy: -24.922 flat angles C4'-P-C4' energy: -21.902 flat angles P-C4'-P energy: -10.898 tors. eta vs tors. theta energy: -9.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -239.933121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.933121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.933121 (E_RNA) where: Base-Base interactions energy: -149.978 where: short stacking energy: -71.217 Base-Backbone interact. energy: -0.680 local terms energy: -89.274755 where: bonds (distance) C4'-P energy: -10.244 bonds (distance) P-C4' energy: -21.740 flat angles C4'-P-C4' energy: -22.855 flat angles P-C4'-P energy: -15.233 tors. eta vs tors. theta energy: -19.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -214.332737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.332737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.332737 (E_RNA) where: Base-Base interactions energy: -141.769 where: short stacking energy: -59.604 Base-Backbone interact. energy: 1.073 local terms energy: -73.636693 where: bonds (distance) C4'-P energy: -21.933 bonds (distance) P-C4' energy: -22.219 flat angles C4'-P-C4' energy: -19.508 flat angles P-C4'-P energy: -4.986 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: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -127.573201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.573201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.573201 (E_RNA) where: Base-Base interactions energy: -44.083 where: short stacking energy: -41.246 Base-Backbone interact. energy: -0.023 local terms energy: -83.467556 where: bonds (distance) C4'-P energy: -23.525 bonds (distance) P-C4' energy: -19.785 flat angles C4'-P-C4' energy: -20.769 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -11.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -409.726017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.726017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.726017 (E_RNA) where: Base-Base interactions energy: -283.515 where: short stacking energy: -128.077 Base-Backbone interact. energy: -0.139 local terms energy: -126.071866 where: bonds (distance) C4'-P energy: -26.004 bonds (distance) P-C4' energy: -22.510 flat angles C4'-P-C4' energy: -26.197 flat angles P-C4'-P energy: -18.609 tors. eta vs tors. theta energy: -32.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -388.608974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.608974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.608974 (E_RNA) where: Base-Base interactions energy: -257.644 where: short stacking energy: -112.385 Base-Backbone interact. energy: -0.115 local terms energy: -130.849089 where: bonds (distance) C4'-P energy: -22.088 bonds (distance) P-C4' energy: -24.591 flat angles C4'-P-C4' energy: -28.925 flat angles P-C4'-P energy: -21.803 tors. eta vs tors. theta energy: -33.442 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: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -328.534762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.534762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.534762 (E_RNA) where: Base-Base interactions energy: -212.365 where: short stacking energy: -103.610 Base-Backbone interact. energy: -0.604 local terms energy: -115.565693 where: bonds (distance) C4'-P energy: -17.365 bonds (distance) P-C4' energy: -24.205 flat angles C4'-P-C4' energy: -24.137 flat angles P-C4'-P energy: -19.499 tors. eta vs tors. theta energy: -30.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -356.988195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.988195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.988195 (E_RNA) where: Base-Base interactions energy: -242.406 where: short stacking energy: -115.541 Base-Backbone interact. energy: -0.137 local terms energy: -114.445245 where: bonds (distance) C4'-P energy: -23.943 bonds (distance) P-C4' energy: -18.258 flat angles C4'-P-C4' energy: -27.548 flat angles P-C4'-P energy: -15.409 tors. eta vs tors. theta energy: -29.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -347.732444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.732444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.732444 (E_RNA) where: Base-Base interactions energy: -228.669 where: short stacking energy: -102.361 Base-Backbone interact. energy: -0.618 local terms energy: -118.445416 where: bonds (distance) C4'-P energy: -23.776 bonds (distance) P-C4' energy: -25.601 flat angles C4'-P-C4' energy: -23.410 flat angles P-C4'-P energy: -16.270 tors. eta vs tors. theta energy: -29.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -198.364041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.364041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.364041 (E_RNA) where: Base-Base interactions energy: -115.303 where: short stacking energy: -69.058 Base-Backbone interact. energy: 2.065 local terms energy: -85.125990 where: bonds (distance) C4'-P energy: -25.101 bonds (distance) P-C4' energy: -24.227 flat angles C4'-P-C4' energy: -20.544 flat angles P-C4'-P energy: -12.053 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -263.379013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.379013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.379013 (E_RNA) where: Base-Base interactions energy: -165.878 where: short stacking energy: -80.645 Base-Backbone interact. energy: -0.870 local terms energy: -96.630664 where: bonds (distance) C4'-P energy: -22.063 bonds (distance) P-C4' energy: -14.154 flat angles C4'-P-C4' energy: -22.294 flat angles P-C4'-P energy: -15.904 tors. eta vs tors. theta energy: -22.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -227.429208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.429208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.429208 (E_RNA) where: Base-Base interactions energy: -149.608 where: short stacking energy: -65.883 Base-Backbone interact. energy: -1.225 local terms energy: -76.596051 where: bonds (distance) C4'-P energy: -9.625 bonds (distance) P-C4' energy: -26.294 flat angles C4'-P-C4' energy: -24.674 flat angles P-C4'-P energy: -8.471 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: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -230.088454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.088454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.088454 (E_RNA) where: Base-Base interactions energy: -139.647 where: short stacking energy: -67.677 Base-Backbone interact. energy: -0.641 local terms energy: -89.800270 where: bonds (distance) C4'-P energy: -20.619 bonds (distance) P-C4' energy: -27.368 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -12.001 tors. eta vs tors. theta energy: -14.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -130.083989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.083989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.083989 (E_RNA) where: Base-Base interactions energy: -53.363 where: short stacking energy: -53.363 Base-Backbone interact. energy: -0.155 local terms energy: -76.565781 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -23.162 flat angles C4'-P-C4' energy: -17.105 flat angles P-C4'-P energy: -12.628 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -409.420889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.420889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.420889 (E_RNA) where: Base-Base interactions energy: -281.909 where: short stacking energy: -120.063 Base-Backbone interact. energy: -1.509 local terms energy: -126.002439 where: bonds (distance) C4'-P energy: -23.102 bonds (distance) P-C4' energy: -24.697 flat angles C4'-P-C4' energy: -26.021 flat angles P-C4'-P energy: -18.272 tors. eta vs tors. theta energy: -33.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -390.588142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.588142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.588142 (E_RNA) where: Base-Base interactions energy: -263.170 where: short stacking energy: -113.948 Base-Backbone interact. energy: -1.024 local terms energy: -126.394429 where: bonds (distance) C4'-P energy: -24.663 bonds (distance) P-C4' energy: -24.922 flat angles C4'-P-C4' energy: -25.727 flat angles P-C4'-P energy: -14.797 tors. eta vs tors. theta energy: -36.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -345.803530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.803530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.803530 (E_RNA) where: Base-Base interactions energy: -234.721 where: short stacking energy: -111.416 Base-Backbone interact. energy: -0.075 local terms energy: -111.007447 where: bonds (distance) C4'-P energy: -18.691 bonds (distance) P-C4' energy: -22.136 flat angles C4'-P-C4' energy: -23.476 flat angles P-C4'-P energy: -12.126 tors. eta vs tors. theta energy: -34.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -348.168087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.168087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.168087 (E_RNA) where: Base-Base interactions energy: -230.277 where: short stacking energy: -106.748 Base-Backbone interact. energy: 1.801 local terms energy: -119.692089 where: bonds (distance) C4'-P energy: -26.972 bonds (distance) P-C4' energy: -22.843 flat angles C4'-P-C4' energy: -22.318 flat angles P-C4'-P energy: -17.951 tors. eta vs tors. theta energy: -29.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -330.097021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.097021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.097021 (E_RNA) where: Base-Base interactions energy: -217.151 where: short stacking energy: -109.280 Base-Backbone interact. energy: -0.424 local terms energy: -112.521308 where: bonds (distance) C4'-P energy: -24.343 bonds (distance) P-C4' energy: -23.089 flat angles C4'-P-C4' energy: -24.232 flat angles P-C4'-P energy: -13.963 tors. eta vs tors. theta energy: -26.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -274.181798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.181798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.181798 (E_RNA) where: Base-Base interactions energy: -172.133 where: short stacking energy: -95.863 Base-Backbone interact. energy: -0.050 local terms energy: -101.998668 where: bonds (distance) C4'-P energy: -20.497 bonds (distance) P-C4' energy: -25.250 flat angles C4'-P-C4' energy: -23.699 flat angles P-C4'-P energy: -12.115 tors. eta vs tors. theta energy: -20.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -197.381755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.381755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.381755 (E_RNA) where: Base-Base interactions energy: -110.240 where: short stacking energy: -63.592 Base-Backbone interact. energy: -0.153 local terms energy: -86.988968 where: bonds (distance) C4'-P energy: -19.847 bonds (distance) P-C4' energy: -21.972 flat angles C4'-P-C4' energy: -25.139 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: -10.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -244.336179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.336179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.336179 (E_RNA) where: Base-Base interactions energy: -157.600 where: short stacking energy: -78.932 Base-Backbone interact. energy: -0.208 local terms energy: -86.528103 where: bonds (distance) C4'-P energy: -23.471 bonds (distance) P-C4' energy: -21.189 flat angles C4'-P-C4' energy: -16.431 flat angles P-C4'-P energy: -12.070 tors. eta vs tors. theta energy: -13.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -233.334421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.334421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.334421 (E_RNA) where: Base-Base interactions energy: -151.800 where: short stacking energy: -72.124 Base-Backbone interact. energy: 0.341 local terms energy: -81.875166 where: bonds (distance) C4'-P energy: -20.257 bonds (distance) P-C4' energy: -20.573 flat angles C4'-P-C4' energy: -19.034 flat angles P-C4'-P energy: -10.909 tors. eta vs tors. theta energy: -11.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -129.236299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.236299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.236299 (E_RNA) where: Base-Base interactions energy: -53.732 where: short stacking energy: -53.732 Base-Backbone interact. energy: -0.063 local terms energy: -75.441258 where: bonds (distance) C4'-P energy: -16.987 bonds (distance) P-C4' energy: -24.288 flat angles C4'-P-C4' energy: -20.578 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -8.019 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: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -404.744217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.744217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.744217 (E_RNA) where: Base-Base interactions energy: -280.694 where: short stacking energy: -120.885 Base-Backbone interact. energy: -2.093 local terms energy: -121.957162 where: bonds (distance) C4'-P energy: -25.229 bonds (distance) P-C4' energy: -25.147 flat angles C4'-P-C4' energy: -23.983 flat angles P-C4'-P energy: -14.991 tors. eta vs tors. theta energy: -32.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -401.563842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.563842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.563842 (E_RNA) where: Base-Base interactions energy: -283.754 where: short stacking energy: -121.955 Base-Backbone interact. energy: -0.371 local terms energy: -117.438803 where: bonds (distance) C4'-P energy: -22.461 bonds (distance) P-C4' energy: -21.033 flat angles C4'-P-C4' energy: -25.663 flat angles P-C4'-P energy: -14.438 tors. eta vs tors. theta energy: -33.844 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: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -351.757039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.757039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.757039 (E_RNA) where: Base-Base interactions energy: -235.098 where: short stacking energy: -104.073 Base-Backbone interact. energy: -0.102 local terms energy: -116.557339 where: bonds (distance) C4'-P energy: -22.053 bonds (distance) P-C4' energy: -20.756 flat angles C4'-P-C4' energy: -25.641 flat angles P-C4'-P energy: -15.742 tors. eta vs tors. theta energy: -32.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -332.227449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.227449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.227449 (E_RNA) where: Base-Base interactions energy: -221.632 where: short stacking energy: -108.439 Base-Backbone interact. energy: -0.172 local terms energy: -110.423879 where: bonds (distance) C4'-P energy: -22.456 bonds (distance) P-C4' energy: -21.113 flat angles C4'-P-C4' energy: -21.986 flat angles P-C4'-P energy: -13.145 tors. eta vs tors. theta energy: -31.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -346.666942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.666942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.666942 (E_RNA) where: Base-Base interactions energy: -231.523 where: short stacking energy: -107.984 Base-Backbone interact. energy: -0.889 local terms energy: -114.255086 where: bonds (distance) C4'-P energy: -15.259 bonds (distance) P-C4' energy: -21.890 flat angles C4'-P-C4' energy: -24.763 flat angles P-C4'-P energy: -20.784 tors. eta vs tors. theta energy: -31.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -257.161771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.161771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.161771 (E_RNA) where: Base-Base interactions energy: -157.429 where: short stacking energy: -71.995 Base-Backbone interact. energy: -0.016 local terms energy: -99.716314 where: bonds (distance) C4'-P energy: -22.256 bonds (distance) P-C4' energy: -28.936 flat angles C4'-P-C4' energy: -24.212 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -15.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -249.874345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.874345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.874345 (E_RNA) where: Base-Base interactions energy: -163.340 where: short stacking energy: -89.678 Base-Backbone interact. energy: -0.301 local terms energy: -86.232970 where: bonds (distance) C4'-P energy: -20.278 bonds (distance) P-C4' energy: -23.598 flat angles C4'-P-C4' energy: -15.860 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -19.899 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: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -208.446112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.446112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.446112 (E_RNA) where: Base-Base interactions energy: -111.196 where: short stacking energy: -70.556 Base-Backbone interact. energy: -0.227 local terms energy: -97.023943 where: bonds (distance) C4'-P energy: -20.783 bonds (distance) P-C4' energy: -19.580 flat angles C4'-P-C4' energy: -21.995 flat angles P-C4'-P energy: -21.099 tors. eta vs tors. theta energy: -13.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -187.738489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.738489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.738489 (E_RNA) where: Base-Base interactions energy: -121.276 where: short stacking energy: -44.408 Base-Backbone interact. energy: 0.824 local terms energy: -67.287079 where: bonds (distance) C4'-P energy: -17.710 bonds (distance) P-C4' energy: -20.153 flat angles C4'-P-C4' energy: -16.489 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -8.602 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: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -118.705764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.705764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.705764 (E_RNA) where: Base-Base interactions energy: -42.256 where: short stacking energy: -40.779 Base-Backbone interact. energy: -0.323 local terms energy: -76.127178 where: bonds (distance) C4'-P energy: -20.575 bonds (distance) P-C4' energy: -22.889 flat angles C4'-P-C4' energy: -19.652 flat angles P-C4'-P energy: -12.319 tors. eta vs tors. theta energy: -0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -410.007276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.007276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.007276 (E_RNA) where: Base-Base interactions energy: -294.785 where: short stacking energy: -114.616 Base-Backbone interact. energy: -0.155 local terms energy: -115.067517 where: bonds (distance) C4'-P energy: -19.187 bonds (distance) P-C4' energy: -25.434 flat angles C4'-P-C4' energy: -23.467 flat angles P-C4'-P energy: -12.046 tors. eta vs tors. theta energy: -34.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -370.355264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.355264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.355264 (E_RNA) where: Base-Base interactions energy: -254.819 where: short stacking energy: -110.652 Base-Backbone interact. energy: -0.023 local terms energy: -115.513183 where: bonds (distance) C4'-P energy: -18.896 bonds (distance) P-C4' energy: -20.555 flat angles C4'-P-C4' energy: -23.592 flat angles P-C4'-P energy: -22.413 tors. eta vs tors. theta energy: -30.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -357.462104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.462104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.462104 (E_RNA) where: Base-Base interactions energy: -237.143 where: short stacking energy: -110.048 Base-Backbone interact. energy: -1.376 local terms energy: -118.943294 where: bonds (distance) C4'-P energy: -22.502 bonds (distance) P-C4' energy: -21.045 flat angles C4'-P-C4' energy: -24.789 flat angles P-C4'-P energy: -19.569 tors. eta vs tors. theta energy: -31.038 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: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -354.345531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.345531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.345531 (E_RNA) where: Base-Base interactions energy: -230.708 where: short stacking energy: -112.524 Base-Backbone interact. energy: -0.560 local terms energy: -123.077492 where: bonds (distance) C4'-P energy: -21.089 bonds (distance) P-C4' energy: -22.134 flat angles C4'-P-C4' energy: -27.742 flat angles P-C4'-P energy: -17.474 tors. eta vs tors. theta energy: -34.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -316.559395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.559395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.559395 (E_RNA) where: Base-Base interactions energy: -196.367 where: short stacking energy: -88.207 Base-Backbone interact. energy: 0.274 local terms energy: -120.466630 where: bonds (distance) C4'-P energy: -23.304 bonds (distance) P-C4' energy: -23.822 flat angles C4'-P-C4' energy: -26.537 flat angles P-C4'-P energy: -18.703 tors. eta vs tors. theta energy: -28.101 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: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -281.896932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.896932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.896932 (E_RNA) where: Base-Base interactions energy: -177.984 where: short stacking energy: -83.787 Base-Backbone interact. energy: -0.763 local terms energy: -103.150183 where: bonds (distance) C4'-P energy: -20.933 bonds (distance) P-C4' energy: -24.151 flat angles C4'-P-C4' energy: -24.554 flat angles P-C4'-P energy: -18.067 tors. eta vs tors. theta energy: -15.445 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: 10 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -223.203125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.203125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.203125 (E_RNA) where: Base-Base interactions energy: -130.514 where: short stacking energy: -67.900 Base-Backbone interact. energy: 0.012 local terms energy: -92.701634 where: bonds (distance) C4'-P energy: -18.512 bonds (distance) P-C4' energy: -23.521 flat angles C4'-P-C4' energy: -23.662 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -17.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -215.350778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.350778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.350778 (E_RNA) where: Base-Base interactions energy: -133.956 where: short stacking energy: -60.401 Base-Backbone interact. energy: 1.493 local terms energy: -82.887478 where: bonds (distance) C4'-P energy: -17.481 bonds (distance) P-C4' energy: -20.895 flat angles C4'-P-C4' energy: -16.688 flat angles P-C4'-P energy: -14.017 tors. eta vs tors. theta energy: -13.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -179.539539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.539539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.539539 (E_RNA) where: Base-Base interactions energy: -103.463 where: short stacking energy: -60.491 Base-Backbone interact. energy: -1.389 local terms energy: -74.687361 where: bonds (distance) C4'-P energy: -15.692 bonds (distance) P-C4' energy: -21.518 flat angles C4'-P-C4' energy: -18.013 flat angles P-C4'-P energy: -12.491 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: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -122.170898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.170898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.170898 (E_RNA) where: Base-Base interactions energy: -44.056 where: short stacking energy: -42.175 Base-Backbone interact. energy: -0.210 local terms energy: -77.904224 where: bonds (distance) C4'-P energy: -22.228 bonds (distance) P-C4' energy: -22.765 flat angles C4'-P-C4' energy: -20.020 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -408.797737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.797737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.797737 (E_RNA) where: Base-Base interactions energy: -294.505 where: short stacking energy: -117.678 Base-Backbone interact. energy: -0.158 local terms energy: -114.134859 where: bonds (distance) C4'-P energy: -24.642 bonds (distance) P-C4' energy: -24.256 flat angles C4'-P-C4' energy: -23.964 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -33.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -370.444453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.444453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.444453 (E_RNA) where: Base-Base interactions energy: -246.179 where: short stacking energy: -102.002 Base-Backbone interact. energy: -0.017 local terms energy: -124.248686 where: bonds (distance) C4'-P energy: -24.555 bonds (distance) P-C4' energy: -21.407 flat angles C4'-P-C4' energy: -26.011 flat angles P-C4'-P energy: -21.510 tors. eta vs tors. theta energy: -30.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -363.191603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.191603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.191603 (E_RNA) where: Base-Base interactions energy: -238.757 where: short stacking energy: -124.171 Base-Backbone interact. energy: -1.141 local terms energy: -123.292807 where: bonds (distance) C4'-P energy: -25.643 bonds (distance) P-C4' energy: -16.809 flat angles C4'-P-C4' energy: -25.981 flat angles P-C4'-P energy: -18.348 tors. eta vs tors. theta energy: -36.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -343.524505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.524505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.524505 (E_RNA) where: Base-Base interactions energy: -225.910 where: short stacking energy: -97.907 Base-Backbone interact. energy: -1.514 local terms energy: -116.100378 where: bonds (distance) C4'-P energy: -26.128 bonds (distance) P-C4' energy: -24.406 flat angles C4'-P-C4' energy: -26.644 flat angles P-C4'-P energy: -15.160 tors. eta vs tors. theta energy: -23.762 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: 202 Temperature: 1.100000 Total energy: -328.890179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.890179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.890179 (E_RNA) where: Base-Base interactions energy: -216.943 where: short stacking energy: -97.671 Base-Backbone interact. energy: -0.564 local terms energy: -111.382857 where: bonds (distance) C4'-P energy: -23.164 bonds (distance) P-C4' energy: -26.818 flat angles C4'-P-C4' energy: -22.629 flat angles P-C4'-P energy: -15.021 tors. eta vs tors. theta energy: -23.750 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: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -271.682310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.682310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.682310 (E_RNA) where: Base-Base interactions energy: -172.479 where: short stacking energy: -89.026 Base-Backbone interact. energy: -2.806 local terms energy: -96.396499 where: bonds (distance) C4'-P energy: -14.399 bonds (distance) P-C4' energy: -25.187 flat angles C4'-P-C4' energy: -26.522 flat angles P-C4'-P energy: -14.991 tors. eta vs tors. theta energy: -15.297 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: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -221.476005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.476005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.476005 (E_RNA) where: Base-Base interactions energy: -142.999 where: short stacking energy: -79.262 Base-Backbone interact. energy: -0.093 local terms energy: -78.384006 where: bonds (distance) C4'-P energy: -25.388 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -18.209 flat angles P-C4'-P energy: -13.675 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: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -228.322299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.322299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.322299 (E_RNA) where: Base-Base interactions energy: -146.448 where: short stacking energy: -67.321 Base-Backbone interact. energy: -0.625 local terms energy: -81.249589 where: bonds (distance) C4'-P energy: -18.283 bonds (distance) P-C4' energy: -21.934 flat angles C4'-P-C4' energy: -19.115 flat angles P-C4'-P energy: -10.756 tors. eta vs tors. theta energy: -11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -199.729056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.729056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.729056 (E_RNA) where: Base-Base interactions energy: -113.113 where: short stacking energy: -57.872 Base-Backbone interact. energy: 0.253 local terms energy: -86.868842 where: bonds (distance) C4'-P energy: -17.082 bonds (distance) P-C4' energy: -23.528 flat angles C4'-P-C4' energy: -21.331 flat angles P-C4'-P energy: -15.335 tors. eta vs tors. theta energy: -9.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -123.492057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.492057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.492057 (E_RNA) where: Base-Base interactions energy: -51.421 where: short stacking energy: -46.797 Base-Backbone interact. energy: -0.605 local terms energy: -71.465783 where: bonds (distance) C4'-P energy: -19.074 bonds (distance) P-C4' energy: -20.339 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -16.956 tors. eta vs tors. theta energy: -10.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -411.520204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.520204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.520204 (E_RNA) where: Base-Base interactions energy: -292.955 where: short stacking energy: -121.115 Base-Backbone interact. energy: -1.080 local terms energy: -117.484615 where: bonds (distance) C4'-P energy: -17.501 bonds (distance) P-C4' energy: -24.045 flat angles C4'-P-C4' energy: -28.122 flat angles P-C4'-P energy: -13.789 tors. eta vs tors. theta energy: -34.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -377.735386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.735386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.735386 (E_RNA) where: Base-Base interactions energy: -250.483 where: short stacking energy: -102.808 Base-Backbone interact. energy: -0.060 local terms energy: -127.192747 where: bonds (distance) C4'-P energy: -19.295 bonds (distance) P-C4' energy: -25.737 flat angles C4'-P-C4' energy: -28.393 flat angles P-C4'-P energy: -20.165 tors. eta vs tors. theta energy: -33.602 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: 203 Temperature: 1.000000 Total energy: -356.897934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.897934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.897934 (E_RNA) where: Base-Base interactions energy: -235.168 where: short stacking energy: -114.850 Base-Backbone interact. energy: 0.661 local terms energy: -122.391148 where: bonds (distance) C4'-P energy: -17.603 bonds (distance) P-C4' energy: -25.215 flat angles C4'-P-C4' energy: -23.608 flat angles P-C4'-P energy: -17.818 tors. eta vs tors. theta energy: -38.148 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: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -346.578046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.578046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.578046 (E_RNA) where: Base-Base interactions energy: -234.796 where: short stacking energy: -108.081 Base-Backbone interact. energy: -1.693 local terms energy: -110.088736 where: bonds (distance) C4'-P energy: -20.027 bonds (distance) P-C4' energy: -21.871 flat angles C4'-P-C4' energy: -22.169 flat angles P-C4'-P energy: -19.416 tors. eta vs tors. theta energy: -26.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -319.150729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.150729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.150729 (E_RNA) where: Base-Base interactions energy: -208.380 where: short stacking energy: -95.643 Base-Backbone interact. energy: -0.038 local terms energy: -110.732359 where: bonds (distance) C4'-P energy: -25.685 bonds (distance) P-C4' energy: -20.412 flat angles C4'-P-C4' energy: -19.817 flat angles P-C4'-P energy: -16.522 tors. eta vs tors. theta energy: -28.296 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: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -269.067967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.067967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.067967 (E_RNA) where: Base-Base interactions energy: -178.129 where: short stacking energy: -86.361 Base-Backbone interact. energy: -0.442 local terms energy: -90.497507 where: bonds (distance) C4'-P energy: -19.142 bonds (distance) P-C4' energy: -21.191 flat angles C4'-P-C4' energy: -19.957 flat angles P-C4'-P energy: -12.745 tors. eta vs tors. theta energy: -17.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -207.672764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.672764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.672764 (E_RNA) where: Base-Base interactions energy: -113.236 where: short stacking energy: -67.604 Base-Backbone interact. energy: -0.025 local terms energy: -94.411459 where: bonds (distance) C4'-P energy: -20.154 bonds (distance) P-C4' energy: -16.504 flat angles C4'-P-C4' energy: -25.251 flat angles P-C4'-P energy: -13.960 tors. eta vs tors. theta energy: -18.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -246.443486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.443486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.443486 (E_RNA) where: Base-Base interactions energy: -155.362 where: short stacking energy: -77.957 Base-Backbone interact. energy: -0.152 local terms energy: -90.930275 where: bonds (distance) C4'-P energy: -19.749 bonds (distance) P-C4' energy: -13.854 flat angles C4'-P-C4' energy: -20.624 flat angles P-C4'-P energy: -13.759 tors. eta vs tors. theta energy: -22.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -199.641627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.641627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.641627 (E_RNA) where: Base-Base interactions energy: -112.290 where: short stacking energy: -66.238 Base-Backbone interact. energy: -0.432 local terms energy: -86.919278 where: bonds (distance) C4'-P energy: -22.256 bonds (distance) P-C4' energy: -22.148 flat angles C4'-P-C4' energy: -26.652 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -7.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -124.326340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.326340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.326340 (E_RNA) where: Base-Base interactions energy: -41.540 where: short stacking energy: -35.292 Base-Backbone interact. energy: -0.364 local terms energy: -82.421526 where: bonds (distance) C4'-P energy: -22.804 bonds (distance) P-C4' energy: -24.903 flat angles C4'-P-C4' energy: -23.696 flat angles P-C4'-P energy: -9.406 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -408.030899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.030899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.030899 (E_RNA) where: Base-Base interactions energy: -280.378 where: short stacking energy: -117.036 Base-Backbone interact. energy: -0.001 local terms energy: -127.652591 where: bonds (distance) C4'-P energy: -25.796 bonds (distance) P-C4' energy: -25.217 flat angles C4'-P-C4' energy: -24.728 flat angles P-C4'-P energy: -14.688 tors. eta vs tors. theta energy: -37.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -370.157342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.157342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.157342 (E_RNA) where: Base-Base interactions energy: -257.931 where: short stacking energy: -109.363 Base-Backbone interact. energy: -0.980 local terms energy: -111.245774 where: bonds (distance) C4'-P energy: -19.371 bonds (distance) P-C4' energy: -18.979 flat angles C4'-P-C4' energy: -26.889 flat angles P-C4'-P energy: -17.248 tors. eta vs tors. theta energy: -28.760 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: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -356.488390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.488390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.488390 (E_RNA) where: Base-Base interactions energy: -233.110 where: short stacking energy: -110.894 Base-Backbone interact. energy: -0.264 local terms energy: -123.113959 where: bonds (distance) C4'-P energy: -23.414 bonds (distance) P-C4' energy: -21.721 flat angles C4'-P-C4' energy: -24.313 flat angles P-C4'-P energy: -16.115 tors. eta vs tors. theta energy: -37.551 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: 204 Temperature: 1.050000 Total energy: -347.057607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.057607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.057607 (E_RNA) where: Base-Base interactions energy: -233.687 where: short stacking energy: -100.336 Base-Backbone interact. energy: -0.140 local terms energy: -113.231349 where: bonds (distance) C4'-P energy: -21.499 bonds (distance) P-C4' energy: -23.895 flat angles C4'-P-C4' energy: -23.618 flat angles P-C4'-P energy: -16.319 tors. eta vs tors. theta energy: -27.900 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: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -322.092073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.092073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.092073 (E_RNA) where: Base-Base interactions energy: -215.260 where: short stacking energy: -99.490 Base-Backbone interact. energy: -0.005 local terms energy: -106.827172 where: bonds (distance) C4'-P energy: -16.221 bonds (distance) P-C4' energy: -22.876 flat angles C4'-P-C4' energy: -20.150 flat angles P-C4'-P energy: -13.992 tors. eta vs tors. theta energy: -33.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -273.226335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.226335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.226335 (E_RNA) where: Base-Base interactions energy: -175.814 where: short stacking energy: -76.258 Base-Backbone interact. energy: -0.866 local terms energy: -96.546569 where: bonds (distance) C4'-P energy: -19.723 bonds (distance) P-C4' energy: -23.666 flat angles C4'-P-C4' energy: -21.101 flat angles P-C4'-P energy: -16.564 tors. eta vs tors. theta energy: -15.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -251.998807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.998807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.998807 (E_RNA) where: Base-Base interactions energy: -158.516 where: short stacking energy: -79.368 Base-Backbone interact. energy: -0.392 local terms energy: -93.090486 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -23.940 flat angles C4'-P-C4' energy: -24.651 flat angles P-C4'-P energy: -13.536 tors. eta vs tors. theta energy: -18.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -211.851708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.851708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.851708 (E_RNA) where: Base-Base interactions energy: -115.810 where: short stacking energy: -55.233 Base-Backbone interact. energy: 1.899 local terms energy: -97.941113 where: bonds (distance) C4'-P energy: -25.648 bonds (distance) P-C4' energy: -25.408 flat angles C4'-P-C4' energy: -22.551 flat angles P-C4'-P energy: -17.235 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: 9, replica: 6 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -196.254641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.254641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.254641 (E_RNA) where: Base-Base interactions energy: -113.168 where: short stacking energy: -57.204 Base-Backbone interact. energy: -0.970 local terms energy: -82.116174 where: bonds (distance) C4'-P energy: -18.365 bonds (distance) P-C4' energy: -25.209 flat angles C4'-P-C4' energy: -18.280 flat angles P-C4'-P energy: -17.248 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: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -116.238565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.238565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.238565 (E_RNA) where: Base-Base interactions energy: -38.678 where: short stacking energy: -38.225 Base-Backbone interact. energy: 0.159 local terms energy: -77.719100 where: bonds (distance) C4'-P energy: -22.849 bonds (distance) P-C4' energy: -25.062 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -13.917 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -395.621273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.621273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.621273 (E_RNA) where: Base-Base interactions energy: -273.302 where: short stacking energy: -125.812 Base-Backbone interact. energy: -0.190 local terms energy: -122.128407 where: bonds (distance) C4'-P energy: -20.440 bonds (distance) P-C4' energy: -20.524 flat angles C4'-P-C4' energy: -25.580 flat angles P-C4'-P energy: -18.987 tors. eta vs tors. theta energy: -36.597 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: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -366.631233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.631233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.631233 (E_RNA) where: Base-Base interactions energy: -241.845 where: short stacking energy: -119.873 Base-Backbone interact. energy: -0.375 local terms energy: -124.411335 where: bonds (distance) C4'-P energy: -25.586 bonds (distance) P-C4' energy: -24.991 flat angles C4'-P-C4' energy: -23.663 flat angles P-C4'-P energy: -15.185 tors. eta vs tors. theta energy: -34.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -364.026317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.026317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.026317 (E_RNA) where: Base-Base interactions energy: -249.310 where: short stacking energy: -110.103 Base-Backbone interact. energy: -0.455 local terms energy: -114.261622 where: bonds (distance) C4'-P energy: -20.174 bonds (distance) P-C4' energy: -23.210 flat angles C4'-P-C4' energy: -26.797 flat angles P-C4'-P energy: -15.216 tors. eta vs tors. theta energy: -28.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -352.073339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.073339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.073339 (E_RNA) where: Base-Base interactions energy: -240.206 where: short stacking energy: -110.575 Base-Backbone interact. energy: -0.016 local terms energy: -111.851069 where: bonds (distance) C4'-P energy: -20.742 bonds (distance) P-C4' energy: -21.204 flat angles C4'-P-C4' energy: -24.232 flat angles P-C4'-P energy: -19.751 tors. eta vs tors. theta energy: -25.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -311.276941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.276941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.276941 (E_RNA) where: Base-Base interactions energy: -193.492 where: short stacking energy: -88.638 Base-Backbone interact. energy: 0.563 local terms energy: -118.347879 where: bonds (distance) C4'-P energy: -24.620 bonds (distance) P-C4' energy: -27.924 flat angles C4'-P-C4' energy: -29.293 flat angles P-C4'-P energy: -13.899 tors. eta vs tors. theta energy: -22.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -286.097540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.097540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.097540 (E_RNA) where: Base-Base interactions energy: -192.891 where: short stacking energy: -88.489 Base-Backbone interact. energy: -1.021 local terms energy: -92.185532 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -24.361 flat angles C4'-P-C4' energy: -21.254 flat angles P-C4'-P energy: -12.453 tors. eta vs tors. theta energy: -19.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -262.261848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.261848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.261848 (E_RNA) where: Base-Base interactions energy: -158.678 where: short stacking energy: -81.762 Base-Backbone interact. energy: 0.393 local terms energy: -103.976842 where: bonds (distance) C4'-P energy: -21.320 bonds (distance) P-C4' energy: -22.944 flat angles C4'-P-C4' energy: -25.174 flat angles P-C4'-P energy: -12.747 tors. eta vs tors. theta energy: -21.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -193.472808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.472808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.472808 (E_RNA) where: Base-Base interactions energy: -111.271 where: short stacking energy: -55.881 Base-Backbone interact. energy: -0.307 local terms energy: -81.894670 where: bonds (distance) C4'-P energy: -19.699 bonds (distance) P-C4' energy: -18.064 flat angles C4'-P-C4' energy: -21.009 flat angles P-C4'-P energy: -16.814 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: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -193.353961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.353961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.353961 (E_RNA) where: Base-Base interactions energy: -111.901 where: short stacking energy: -61.902 Base-Backbone interact. energy: -1.405 local terms energy: -80.048227 where: bonds (distance) C4'-P energy: -26.935 bonds (distance) P-C4' energy: -17.253 flat angles C4'-P-C4' energy: -18.646 flat angles P-C4'-P energy: -13.148 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: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -119.249059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.249059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.249059 (E_RNA) where: Base-Base interactions energy: -55.346 where: short stacking energy: -44.822 Base-Backbone interact. energy: -1.092 local terms energy: -62.810488 where: bonds (distance) C4'-P energy: -21.512 bonds (distance) P-C4' energy: -18.369 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -396.837143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.837143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.837143 (E_RNA) where: Base-Base interactions energy: -268.760 where: short stacking energy: -115.998 Base-Backbone interact. energy: 1.421 local terms energy: -129.498592 where: bonds (distance) C4'-P energy: -21.345 bonds (distance) P-C4' energy: -29.306 flat angles C4'-P-C4' energy: -25.061 flat angles P-C4'-P energy: -18.665 tors. eta vs tors. theta energy: -35.121 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: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -364.488036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.488036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.488036 (E_RNA) where: Base-Base interactions energy: -242.318 where: short stacking energy: -112.416 Base-Backbone interact. energy: -0.049 local terms energy: -122.121000 where: bonds (distance) C4'-P energy: -21.200 bonds (distance) P-C4' energy: -21.271 flat angles C4'-P-C4' energy: -27.056 flat angles P-C4'-P energy: -17.933 tors. eta vs tors. theta energy: -34.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -357.009385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.009385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.009385 (E_RNA) where: Base-Base interactions energy: -241.204 where: short stacking energy: -100.976 Base-Backbone interact. energy: -0.542 local terms energy: -115.262982 where: bonds (distance) C4'-P energy: -25.689 bonds (distance) P-C4' energy: -26.096 flat angles C4'-P-C4' energy: -25.003 flat angles P-C4'-P energy: -15.978 tors. eta vs tors. theta energy: -22.497 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: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -347.882473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.882473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.882473 (E_RNA) where: Base-Base interactions energy: -229.204 where: short stacking energy: -99.278 Base-Backbone interact. energy: -2.304 local terms energy: -116.374299 where: bonds (distance) C4'-P energy: -25.007 bonds (distance) P-C4' energy: -21.834 flat angles C4'-P-C4' energy: -21.334 flat angles P-C4'-P energy: -17.016 tors. eta vs tors. theta energy: -31.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -313.042174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.042174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.042174 (E_RNA) where: Base-Base interactions energy: -198.973 where: short stacking energy: -95.761 Base-Backbone interact. energy: -0.063 local terms energy: -114.006514 where: bonds (distance) C4'-P energy: -23.979 bonds (distance) P-C4' energy: -23.958 flat angles C4'-P-C4' energy: -22.366 flat angles P-C4'-P energy: -14.853 tors. eta vs tors. theta energy: -28.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -295.693901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.693901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.693901 (E_RNA) where: Base-Base interactions energy: -200.560 where: short stacking energy: -95.229 Base-Backbone interact. energy: -1.041 local terms energy: -94.093046 where: bonds (distance) C4'-P energy: -15.370 bonds (distance) P-C4' energy: -19.553 flat angles C4'-P-C4' energy: -22.810 flat angles P-C4'-P energy: -11.098 tors. eta vs tors. theta energy: -25.263 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: 206 Temperature: 1.200000 Total energy: -262.137860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.137860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.137860 (E_RNA) where: Base-Base interactions energy: -169.720 where: short stacking energy: -89.121 Base-Backbone interact. energy: -0.188 local terms energy: -92.230120 where: bonds (distance) C4'-P energy: -20.957 bonds (distance) P-C4' energy: -24.229 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -12.073 tors. eta vs tors. theta energy: -19.727 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: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -203.312260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.312260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.312260 (E_RNA) where: Base-Base interactions energy: -118.419 where: short stacking energy: -60.244 Base-Backbone interact. energy: 1.096 local terms energy: -85.989209 where: bonds (distance) C4'-P energy: -23.738 bonds (distance) P-C4' energy: -14.592 flat angles C4'-P-C4' energy: -21.744 flat angles P-C4'-P energy: -14.602 tors. eta vs tors. theta energy: -11.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -168.174427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.174427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.174427 (E_RNA) where: Base-Base interactions energy: -93.478 where: short stacking energy: -47.246 Base-Backbone interact. energy: -0.251 local terms energy: -74.445467 where: bonds (distance) C4'-P energy: -21.583 bonds (distance) P-C4' energy: -19.769 flat angles C4'-P-C4' energy: -16.692 flat angles P-C4'-P energy: -15.156 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -124.698595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.698595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.698595 (E_RNA) where: Base-Base interactions energy: -41.045 where: short stacking energy: -41.235 Base-Backbone interact. energy: -0.191 local terms energy: -83.462350 where: bonds (distance) C4'-P energy: -25.349 bonds (distance) P-C4' energy: -26.587 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -17.076 tors. eta vs tors. theta energy: -0.560 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: 207 Temperature: 0.900000 Total energy: -388.091570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.091570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.091570 (E_RNA) where: Base-Base interactions energy: -263.205 where: short stacking energy: -112.995 Base-Backbone interact. energy: -1.308 local terms energy: -123.578368 where: bonds (distance) C4'-P energy: -22.961 bonds (distance) P-C4' energy: -22.381 flat angles C4'-P-C4' energy: -25.699 flat angles P-C4'-P energy: -19.092 tors. eta vs tors. theta energy: -33.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -361.926479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.926479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.926479 (E_RNA) where: Base-Base interactions energy: -236.651 where: short stacking energy: -114.008 Base-Backbone interact. energy: -0.385 local terms energy: -124.890142 where: bonds (distance) C4'-P energy: -19.481 bonds (distance) P-C4' energy: -22.596 flat angles C4'-P-C4' energy: -28.143 flat angles P-C4'-P energy: -18.173 tors. eta vs tors. theta energy: -36.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -362.374105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.374105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.374105 (E_RNA) where: Base-Base interactions energy: -245.259 where: short stacking energy: -105.751 Base-Backbone interact. energy: -0.477 local terms energy: -116.637374 where: bonds (distance) C4'-P energy: -20.306 bonds (distance) P-C4' energy: -23.556 flat angles C4'-P-C4' energy: -27.285 flat angles P-C4'-P energy: -15.048 tors. eta vs tors. theta energy: -30.442 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: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -376.528801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.528801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.528801 (E_RNA) where: Base-Base interactions energy: -255.965 where: short stacking energy: -102.480 Base-Backbone interact. energy: -0.688 local terms energy: -119.875690 where: bonds (distance) C4'-P energy: -19.545 bonds (distance) P-C4' energy: -26.908 flat angles C4'-P-C4' energy: -21.428 flat angles P-C4'-P energy: -18.432 tors. eta vs tors. theta energy: -33.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -334.384948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.384948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.384948 (E_RNA) where: Base-Base interactions energy: -213.656 where: short stacking energy: -106.312 Base-Backbone interact. energy: -1.647 local terms energy: -119.081338 where: bonds (distance) C4'-P energy: -23.035 bonds (distance) P-C4' energy: -28.494 flat angles C4'-P-C4' energy: -28.174 flat angles P-C4'-P energy: -12.602 tors. eta vs tors. theta energy: -26.776 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: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -292.959650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.959650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.959650 (E_RNA) where: Base-Base interactions energy: -190.968 where: short stacking energy: -85.225 Base-Backbone interact. energy: -0.709 local terms energy: -101.282347 where: bonds (distance) C4'-P energy: -24.177 bonds (distance) P-C4' energy: -25.368 flat angles C4'-P-C4' energy: -23.025 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -18.435 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: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -269.609075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.609075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.609075 (E_RNA) where: Base-Base interactions energy: -176.477 where: short stacking energy: -86.766 Base-Backbone interact. energy: -0.196 local terms energy: -92.935994 where: bonds (distance) C4'-P energy: -16.234 bonds (distance) P-C4' energy: -21.118 flat angles C4'-P-C4' energy: -16.889 flat angles P-C4'-P energy: -19.029 tors. eta vs tors. theta energy: -19.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -173.771505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.771505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.771505 (E_RNA) where: Base-Base interactions energy: -103.516 where: short stacking energy: -57.314 Base-Backbone interact. energy: 0.409 local terms energy: -70.664284 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -18.742 flat angles C4'-P-C4' energy: -22.566 flat angles P-C4'-P energy: -7.106 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: 9, replica: 6 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -187.828406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.828406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.828406 (E_RNA) where: Base-Base interactions energy: -108.670 where: short stacking energy: -62.463 Base-Backbone interact. energy: -0.241 local terms energy: -78.916932 where: bonds (distance) C4'-P energy: -20.350 bonds (distance) P-C4' energy: -21.504 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -12.363 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: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -122.641323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.641323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.641323 (E_RNA) where: Base-Base interactions energy: -45.539 where: short stacking energy: -42.078 Base-Backbone interact. energy: -0.253 local terms energy: -76.850061 where: bonds (distance) C4'-P energy: -18.641 bonds (distance) P-C4' energy: -23.590 flat angles C4'-P-C4' energy: -22.429 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -407.498495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.498495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.498495 (E_RNA) where: Base-Base interactions energy: -271.459 where: short stacking energy: -119.564 Base-Backbone interact. energy: -1.557 local terms energy: -134.483206 where: bonds (distance) C4'-P energy: -24.067 bonds (distance) P-C4' energy: -28.065 flat angles C4'-P-C4' energy: -24.311 flat angles P-C4'-P energy: -19.147 tors. eta vs tors. theta energy: -38.892 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: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -361.347683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.347683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.347683 (E_RNA) where: Base-Base interactions energy: -242.400 where: short stacking energy: -125.050 Base-Backbone interact. energy: -0.328 local terms energy: -118.620184 where: bonds (distance) C4'-P energy: -18.760 bonds (distance) P-C4' energy: -23.360 flat angles C4'-P-C4' energy: -26.164 flat angles P-C4'-P energy: -15.703 tors. eta vs tors. theta energy: -34.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -363.123827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.123827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.123827 (E_RNA) where: Base-Base interactions energy: -247.208 where: short stacking energy: -114.148 Base-Backbone interact. energy: -0.994 local terms energy: -114.921720 where: bonds (distance) C4'-P energy: -23.231 bonds (distance) P-C4' energy: -18.537 flat angles C4'-P-C4' energy: -24.652 flat angles P-C4'-P energy: -17.914 tors. eta vs tors. theta energy: -30.589 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: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -351.976630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.976630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.976630 (E_RNA) where: Base-Base interactions energy: -239.498 where: short stacking energy: -106.700 Base-Backbone interact. energy: -2.261 local terms energy: -110.217232 where: bonds (distance) C4'-P energy: -17.935 bonds (distance) P-C4' energy: -24.483 flat angles C4'-P-C4' energy: -24.938 flat angles P-C4'-P energy: -18.514 tors. eta vs tors. theta energy: -24.347 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: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -298.468501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.468501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.468501 (E_RNA) where: Base-Base interactions energy: -190.114 where: short stacking energy: -82.600 Base-Backbone interact. energy: 0.470 local terms energy: -108.824169 where: bonds (distance) C4'-P energy: -26.032 bonds (distance) P-C4' energy: -25.658 flat angles C4'-P-C4' energy: -26.072 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -21.219 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: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -311.723185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.723185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.723185 (E_RNA) where: Base-Base interactions energy: -216.230 where: short stacking energy: -94.331 Base-Backbone interact. energy: -0.674 local terms energy: -94.818348 where: bonds (distance) C4'-P energy: -15.639 bonds (distance) P-C4' energy: -18.522 flat angles C4'-P-C4' energy: -22.463 flat angles P-C4'-P energy: -14.556 tors. eta vs tors. theta energy: -23.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -274.182259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.182259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.182259 (E_RNA) where: Base-Base interactions energy: -166.246 where: short stacking energy: -85.200 Base-Backbone interact. energy: 0.106 local terms energy: -108.042342 where: bonds (distance) C4'-P energy: -18.927 bonds (distance) P-C4' energy: -22.332 flat angles C4'-P-C4' energy: -26.072 flat angles P-C4'-P energy: -18.038 tors. eta vs tors. theta energy: -22.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -240.566226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.566226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.566226 (E_RNA) where: Base-Base interactions energy: -147.849 where: short stacking energy: -73.765 Base-Backbone interact. energy: -0.061 local terms energy: -92.656370 where: bonds (distance) C4'-P energy: -22.783 bonds (distance) P-C4' energy: -20.565 flat angles C4'-P-C4' energy: -21.129 flat angles P-C4'-P energy: -15.315 tors. eta vs tors. theta energy: -12.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -150.259128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.259128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.259128 (E_RNA) where: Base-Base interactions energy: -61.543 where: short stacking energy: -39.728 Base-Backbone interact. energy: -0.266 local terms energy: -88.450520 where: bonds (distance) C4'-P energy: -26.198 bonds (distance) P-C4' energy: -27.932 flat angles C4'-P-C4' energy: -20.632 flat angles P-C4'-P energy: -12.039 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -143.698808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.698808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.698808 (E_RNA) where: Base-Base interactions energy: -72.003 where: short stacking energy: -46.644 Base-Backbone interact. energy: -0.093 local terms energy: -71.602501 where: bonds (distance) C4'-P energy: -20.120 bonds (distance) P-C4' energy: -15.197 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -14.724 tors. eta vs tors. theta energy: -10.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -420.485411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.485411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.485411 (E_RNA) where: Base-Base interactions energy: -287.121 where: short stacking energy: -129.447 Base-Backbone interact. energy: -0.781 local terms energy: -132.583419 where: bonds (distance) C4'-P energy: -22.637 bonds (distance) P-C4' energy: -25.018 flat angles C4'-P-C4' energy: -29.219 flat angles P-C4'-P energy: -18.711 tors. eta vs tors. theta energy: -36.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -378.442289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.442289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.442289 (E_RNA) where: Base-Base interactions energy: -249.398 where: short stacking energy: -124.555 Base-Backbone interact. energy: 0.352 local terms energy: -129.396383 where: bonds (distance) C4'-P energy: -25.403 bonds (distance) P-C4' energy: -23.270 flat angles C4'-P-C4' energy: -27.389 flat angles P-C4'-P energy: -14.766 tors. eta vs tors. theta energy: -38.569 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: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -354.480558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.480558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.480558 (E_RNA) where: Base-Base interactions energy: -240.226 where: short stacking energy: -96.015 Base-Backbone interact. energy: -0.297 local terms energy: -113.957685 where: bonds (distance) C4'-P energy: -19.852 bonds (distance) P-C4' energy: -23.625 flat angles C4'-P-C4' energy: -26.930 flat angles P-C4'-P energy: -15.988 tors. eta vs tors. theta energy: -27.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -358.304638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.304638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.304638 (E_RNA) where: Base-Base interactions energy: -242.419 where: short stacking energy: -103.264 Base-Backbone interact. energy: -1.298 local terms energy: -114.586825 where: bonds (distance) C4'-P energy: -19.895 bonds (distance) P-C4' energy: -22.766 flat angles C4'-P-C4' energy: -25.801 flat angles P-C4'-P energy: -18.081 tors. eta vs tors. theta energy: -28.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -310.344666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.344666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.344666 (E_RNA) where: Base-Base interactions energy: -197.873 where: short stacking energy: -88.302 Base-Backbone interact. energy: -0.262 local terms energy: -112.210239 where: bonds (distance) C4'-P energy: -22.256 bonds (distance) P-C4' energy: -26.368 flat angles C4'-P-C4' energy: -25.177 flat angles P-C4'-P energy: -14.282 tors. eta vs tors. theta energy: -24.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -260.768273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.768273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.768273 (E_RNA) where: Base-Base interactions energy: -167.652 where: short stacking energy: -82.635 Base-Backbone interact. energy: -0.255 local terms energy: -92.862172 where: bonds (distance) C4'-P energy: -19.121 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -26.956 flat angles P-C4'-P energy: -17.699 tors. eta vs tors. theta energy: -12.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -304.998790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.998790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.998790 (E_RNA) where: Base-Base interactions energy: -190.902 where: short stacking energy: -89.503 Base-Backbone interact. energy: -0.048 local terms energy: -114.048163 where: bonds (distance) C4'-P energy: -21.667 bonds (distance) P-C4' energy: -23.960 flat angles C4'-P-C4' energy: -22.715 flat angles P-C4'-P energy: -16.537 tors. eta vs tors. theta energy: -29.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -232.832399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.832399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.832399 (E_RNA) where: Base-Base interactions energy: -148.935 where: short stacking energy: -67.078 Base-Backbone interact. energy: -0.458 local terms energy: -83.439620 where: bonds (distance) C4'-P energy: -15.897 bonds (distance) P-C4' energy: -19.689 flat angles C4'-P-C4' energy: -18.040 flat angles P-C4'-P energy: -16.978 tors. eta vs tors. theta energy: -12.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -136.072588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.072588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.072588 (E_RNA) where: Base-Base interactions energy: -54.034 where: short stacking energy: -54.034 Base-Backbone interact. energy: -0.915 local terms energy: -81.123048 where: bonds (distance) C4'-P energy: -20.457 bonds (distance) P-C4' energy: -19.195 flat angles C4'-P-C4' energy: -18.941 flat angles P-C4'-P energy: -15.681 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -108.362845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.362845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.362845 (E_RNA) where: Base-Base interactions energy: -40.256 where: short stacking energy: -31.776 Base-Backbone interact. energy: 1.946 local terms energy: -70.052714 where: bonds (distance) C4'-P energy: -19.058 bonds (distance) P-C4' energy: -21.388 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -12.110 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -376.975841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.975841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.975841 (E_RNA) where: Base-Base interactions energy: -245.890 where: short stacking energy: -130.946 Base-Backbone interact. energy: -0.245 local terms energy: -130.840459 where: bonds (distance) C4'-P energy: -25.060 bonds (distance) P-C4' energy: -22.595 flat angles C4'-P-C4' energy: -28.016 flat angles P-C4'-P energy: -16.359 tors. eta vs tors. theta energy: -38.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -395.926882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.926882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.926882 (E_RNA) where: Base-Base interactions energy: -266.724 where: short stacking energy: -112.200 Base-Backbone interact. energy: 0.840 local terms energy: -130.043602 where: bonds (distance) C4'-P energy: -25.237 bonds (distance) P-C4' energy: -26.786 flat angles C4'-P-C4' energy: -24.534 flat angles P-C4'-P energy: -18.793 tors. eta vs tors. theta energy: -34.694 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: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -357.425499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.425499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.425499 (E_RNA) where: Base-Base interactions energy: -248.629 where: short stacking energy: -112.111 Base-Backbone interact. energy: -0.711 local terms energy: -108.085619 where: bonds (distance) C4'-P energy: -21.713 bonds (distance) P-C4' energy: -21.937 flat angles C4'-P-C4' energy: -24.409 flat angles P-C4'-P energy: -11.452 tors. eta vs tors. theta energy: -28.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -391.818664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.818664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.818664 (E_RNA) where: Base-Base interactions energy: -267.517 where: short stacking energy: -114.839 Base-Backbone interact. energy: -0.021 local terms energy: -124.281498 where: bonds (distance) C4'-P energy: -21.892 bonds (distance) P-C4' energy: -25.164 flat angles C4'-P-C4' energy: -27.647 flat angles P-C4'-P energy: -13.854 tors. eta vs tors. theta energy: -35.725 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: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -293.110051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.110051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.110051 (E_RNA) where: Base-Base interactions energy: -194.491 where: short stacking energy: -95.960 Base-Backbone interact. energy: -0.379 local terms energy: -98.240196 where: bonds (distance) C4'-P energy: -18.276 bonds (distance) P-C4' energy: -15.914 flat angles C4'-P-C4' energy: -21.908 flat angles P-C4'-P energy: -16.505 tors. eta vs tors. theta energy: -25.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -265.457400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.457400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.457400 (E_RNA) where: Base-Base interactions energy: -159.788 where: short stacking energy: -75.319 Base-Backbone interact. energy: -0.623 local terms energy: -105.046012 where: bonds (distance) C4'-P energy: -25.664 bonds (distance) P-C4' energy: -28.503 flat angles C4'-P-C4' energy: -21.905 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -22.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -316.743567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.743567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.743567 (E_RNA) where: Base-Base interactions energy: -207.315 where: short stacking energy: -94.015 Base-Backbone interact. energy: -0.383 local terms energy: -109.045546 where: bonds (distance) C4'-P energy: -17.965 bonds (distance) P-C4' energy: -25.725 flat angles C4'-P-C4' energy: -22.475 flat angles P-C4'-P energy: -11.366 tors. eta vs tors. theta energy: -31.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -214.483520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.483520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.483520 (E_RNA) where: Base-Base interactions energy: -134.812 where: short stacking energy: -62.208 Base-Backbone interact. energy: -0.038 local terms energy: -79.634283 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -21.422 flat angles C4'-P-C4' energy: -23.607 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -12.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -177.900950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.900950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.900950 (E_RNA) where: Base-Base interactions energy: -104.421 where: short stacking energy: -40.534 Base-Backbone interact. energy: -0.247 local terms energy: -73.232617 where: bonds (distance) C4'-P energy: -18.356 bonds (distance) P-C4' energy: -25.466 flat angles C4'-P-C4' energy: -18.605 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -136.378130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.378130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.378130 (E_RNA) where: Base-Base interactions energy: -68.907 where: short stacking energy: -44.854 Base-Backbone interact. energy: -0.068 local terms energy: -67.402677 where: bonds (distance) C4'-P energy: -19.987 bonds (distance) P-C4' energy: -18.963 flat angles C4'-P-C4' energy: -9.212 flat angles P-C4'-P energy: -16.177 tors. eta vs tors. theta energy: -3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -374.747576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.747576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.747576 (E_RNA) where: Base-Base interactions energy: -241.018 where: short stacking energy: -123.306 Base-Backbone interact. energy: 0.157 local terms energy: -133.886579 where: bonds (distance) C4'-P energy: -26.443 bonds (distance) P-C4' energy: -22.739 flat angles C4'-P-C4' energy: -29.207 flat angles P-C4'-P energy: -18.542 tors. eta vs tors. theta energy: -36.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -382.491286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.491286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.491286 (E_RNA) where: Base-Base interactions energy: -260.479 where: short stacking energy: -110.695 Base-Backbone interact. energy: -0.017 local terms energy: -121.995154 where: bonds (distance) C4'-P energy: -23.577 bonds (distance) P-C4' energy: -22.858 flat angles C4'-P-C4' energy: -24.735 flat angles P-C4'-P energy: -17.253 tors. eta vs tors. theta energy: -33.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -372.409295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.409295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.409295 (E_RNA) where: Base-Base interactions energy: -251.839 where: short stacking energy: -108.639 Base-Backbone interact. energy: -0.587 local terms energy: -119.982807 where: bonds (distance) C4'-P energy: -21.457 bonds (distance) P-C4' energy: -25.760 flat angles C4'-P-C4' energy: -24.887 flat angles P-C4'-P energy: -18.102 tors. eta vs tors. theta energy: -29.777 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: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -390.859898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.859898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.859898 (E_RNA) where: Base-Base interactions energy: -271.620 where: short stacking energy: -119.831 Base-Backbone interact. energy: -0.307 local terms energy: -118.932974 where: bonds (distance) C4'-P energy: -18.825 bonds (distance) P-C4' energy: -21.747 flat angles C4'-P-C4' energy: -21.258 flat angles P-C4'-P energy: -18.349 tors. eta vs tors. theta energy: -38.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -277.857057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.857057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.857057 (E_RNA) where: Base-Base interactions energy: -186.161 where: short stacking energy: -78.706 Base-Backbone interact. energy: 0.335 local terms energy: -92.031062 where: bonds (distance) C4'-P energy: -19.803 bonds (distance) P-C4' energy: -22.826 flat angles C4'-P-C4' energy: -22.725 flat angles P-C4'-P energy: -12.327 tors. eta vs tors. theta energy: -14.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -288.489047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.489047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.489047 (E_RNA) where: Base-Base interactions energy: -178.125 where: short stacking energy: -96.188 Base-Backbone interact. energy: -0.006 local terms energy: -110.357299 where: bonds (distance) C4'-P energy: -23.942 bonds (distance) P-C4' energy: -20.798 flat angles C4'-P-C4' energy: -25.710 flat angles P-C4'-P energy: -16.825 tors. eta vs tors. theta energy: -23.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -260.400391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.400391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.400391 (E_RNA) where: Base-Base interactions energy: -164.782 where: short stacking energy: -82.626 Base-Backbone interact. energy: -0.149 local terms energy: -95.469214 where: bonds (distance) C4'-P energy: -18.284 bonds (distance) P-C4' energy: -23.260 flat angles C4'-P-C4' energy: -16.499 flat angles P-C4'-P energy: -20.220 tors. eta vs tors. theta energy: -17.207 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: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -211.743154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.743154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.743154 (E_RNA) where: Base-Base interactions energy: -116.044 where: short stacking energy: -57.913 Base-Backbone interact. energy: 0.226 local terms energy: -95.924817 where: bonds (distance) C4'-P energy: -24.409 bonds (distance) P-C4' energy: -22.669 flat angles C4'-P-C4' energy: -22.274 flat angles P-C4'-P energy: -15.061 tors. eta vs tors. theta energy: -11.512 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: 211 Temperature: 1.300000 Total energy: -226.179175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.179175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.179175 (E_RNA) where: Base-Base interactions energy: -137.872 where: short stacking energy: -65.348 Base-Backbone interact. energy: -0.185 local terms energy: -88.122939 where: bonds (distance) C4'-P energy: -24.183 bonds (distance) P-C4' energy: -16.304 flat angles C4'-P-C4' energy: -22.908 flat angles P-C4'-P energy: -14.999 tors. eta vs tors. theta energy: -9.728 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: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -120.089405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.089405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.089405 (E_RNA) where: Base-Base interactions energy: -46.061 where: short stacking energy: -45.199 Base-Backbone interact. energy: -0.531 local terms energy: -73.496834 where: bonds (distance) C4'-P energy: -18.904 bonds (distance) P-C4' energy: -22.538 flat angles C4'-P-C4' energy: -18.724 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -378.230880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.230880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.230880 (E_RNA) where: Base-Base interactions energy: -251.031 where: short stacking energy: -118.214 Base-Backbone interact. energy: -0.857 local terms energy: -126.342888 where: bonds (distance) C4'-P energy: -25.602 bonds (distance) P-C4' energy: -24.045 flat angles C4'-P-C4' energy: -25.630 flat angles P-C4'-P energy: -18.251 tors. eta vs tors. theta energy: -32.816 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: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -381.047344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.047344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.047344 (E_RNA) where: Base-Base interactions energy: -241.941 where: short stacking energy: -123.249 Base-Backbone interact. energy: -0.149 local terms energy: -138.957578 where: bonds (distance) C4'-P energy: -25.602 bonds (distance) P-C4' energy: -28.566 flat angles C4'-P-C4' energy: -29.315 flat angles P-C4'-P energy: -16.862 tors. eta vs tors. theta energy: -38.613 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: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -382.226113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.226113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.226113 (E_RNA) where: Base-Base interactions energy: -257.088 where: short stacking energy: -108.068 Base-Backbone interact. energy: -1.556 local terms energy: -123.582716 where: bonds (distance) C4'-P energy: -22.017 bonds (distance) P-C4' energy: -25.051 flat angles C4'-P-C4' energy: -23.490 flat angles P-C4'-P energy: -22.771 tors. eta vs tors. theta energy: -30.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -368.878491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.878491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.878491 (E_RNA) where: Base-Base interactions energy: -253.774 where: short stacking energy: -96.591 Base-Backbone interact. energy: -0.341 local terms energy: -114.763640 where: bonds (distance) C4'-P energy: -22.434 bonds (distance) P-C4' energy: -24.802 flat angles C4'-P-C4' energy: -20.171 flat angles P-C4'-P energy: -21.237 tors. eta vs tors. theta energy: -26.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -316.365261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.365261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.365261 (E_RNA) where: Base-Base interactions energy: -205.523 where: short stacking energy: -101.598 Base-Backbone interact. energy: -0.059 local terms energy: -110.782637 where: bonds (distance) C4'-P energy: -27.107 bonds (distance) P-C4' energy: -14.728 flat angles C4'-P-C4' energy: -22.978 flat angles P-C4'-P energy: -16.995 tors. eta vs tors. theta energy: -28.975 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: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -290.825671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.825671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.825671 (E_RNA) where: Base-Base interactions energy: -193.832 where: short stacking energy: -81.043 Base-Backbone interact. energy: -1.179 local terms energy: -95.814055 where: bonds (distance) C4'-P energy: -19.540 bonds (distance) P-C4' energy: -27.495 flat angles C4'-P-C4' energy: -19.416 flat angles P-C4'-P energy: -16.338 tors. eta vs tors. theta energy: -13.025 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: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -248.097624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.097624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.097624 (E_RNA) where: Base-Base interactions energy: -158.953 where: short stacking energy: -82.763 Base-Backbone interact. energy: -0.148 local terms energy: -88.997072 where: bonds (distance) C4'-P energy: -19.475 bonds (distance) P-C4' energy: -18.846 flat angles C4'-P-C4' energy: -26.311 flat angles P-C4'-P energy: -13.841 tors. eta vs tors. theta energy: -10.524 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: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -196.457271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.457271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.457271 (E_RNA) where: Base-Base interactions energy: -111.728 where: short stacking energy: -51.576 Base-Backbone interact. energy: -0.591 local terms energy: -84.137874 where: bonds (distance) C4'-P energy: -23.391 bonds (distance) P-C4' energy: -21.780 flat angles C4'-P-C4' energy: -22.955 flat angles P-C4'-P energy: -11.210 tors. eta vs tors. theta energy: -4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -239.038425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.038425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.038425 (E_RNA) where: Base-Base interactions energy: -147.678 where: short stacking energy: -65.331 Base-Backbone interact. energy: 2.087 local terms energy: -93.447361 where: bonds (distance) C4'-P energy: -24.608 bonds (distance) P-C4' energy: -21.402 flat angles C4'-P-C4' energy: -23.514 flat angles P-C4'-P energy: -13.826 tors. eta vs tors. theta energy: -10.098 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: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -124.261672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.261672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.261672 (E_RNA) where: Base-Base interactions energy: -56.994 where: short stacking energy: -35.918 Base-Backbone interact. energy: -0.452 local terms energy: -66.815913 where: bonds (distance) C4'-P energy: -16.345 bonds (distance) P-C4' energy: -20.264 flat angles C4'-P-C4' energy: -23.157 flat angles P-C4'-P energy: -14.321 tors. eta vs tors. theta energy: 7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -393.275833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.275833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.275833 (E_RNA) where: Base-Base interactions energy: -265.545 where: short stacking energy: -119.228 Base-Backbone interact. energy: -1.846 local terms energy: -125.884698 where: bonds (distance) C4'-P energy: -25.017 bonds (distance) P-C4' energy: -20.465 flat angles C4'-P-C4' energy: -28.811 flat angles P-C4'-P energy: -17.670 tors. eta vs tors. theta energy: -33.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -392.178036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.178036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.178036 (E_RNA) where: Base-Base interactions energy: -265.709 where: short stacking energy: -118.965 Base-Backbone interact. energy: -0.229 local terms energy: -126.240690 where: bonds (distance) C4'-P energy: -22.473 bonds (distance) P-C4' energy: -24.155 flat angles C4'-P-C4' energy: -28.959 flat angles P-C4'-P energy: -18.924 tors. eta vs tors. theta energy: -31.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -371.669697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.669697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.669697 (E_RNA) where: Base-Base interactions energy: -234.484 where: short stacking energy: -118.843 Base-Backbone interact. energy: -0.008 local terms energy: -137.177983 where: bonds (distance) C4'-P energy: -24.724 bonds (distance) P-C4' energy: -23.336 flat angles C4'-P-C4' energy: -28.785 flat angles P-C4'-P energy: -20.739 tors. eta vs tors. theta energy: -39.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -379.241759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.241759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.241759 (E_RNA) where: Base-Base interactions energy: -270.598 where: short stacking energy: -110.971 Base-Backbone interact. energy: -0.142 local terms energy: -108.501652 where: bonds (distance) C4'-P energy: -17.977 bonds (distance) P-C4' energy: -21.048 flat angles C4'-P-C4' energy: -23.876 flat angles P-C4'-P energy: -12.634 tors. eta vs tors. theta energy: -32.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -333.401940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.401940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.401940 (E_RNA) where: Base-Base interactions energy: -222.307 where: short stacking energy: -106.733 Base-Backbone interact. energy: -0.222 local terms energy: -110.872599 where: bonds (distance) C4'-P energy: -24.306 bonds (distance) P-C4' energy: -18.671 flat angles C4'-P-C4' energy: -24.626 flat angles P-C4'-P energy: -15.777 tors. eta vs tors. theta energy: -27.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -290.159496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.159496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.159496 (E_RNA) where: Base-Base interactions energy: -180.692 where: short stacking energy: -88.266 Base-Backbone interact. energy: -0.219 local terms energy: -109.249044 where: bonds (distance) C4'-P energy: -20.615 bonds (distance) P-C4' energy: -23.480 flat angles C4'-P-C4' energy: -28.400 flat angles P-C4'-P energy: -15.481 tors. eta vs tors. theta energy: -21.274 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: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -246.505120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.505120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.505120 (E_RNA) where: Base-Base interactions energy: -156.092 where: short stacking energy: -77.708 Base-Backbone interact. energy: -1.069 local terms energy: -89.344353 where: bonds (distance) C4'-P energy: -22.146 bonds (distance) P-C4' energy: -19.260 flat angles C4'-P-C4' energy: -18.815 flat angles P-C4'-P energy: -15.754 tors. eta vs tors. theta energy: -13.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -233.709835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.709835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.709835 (E_RNA) where: Base-Base interactions energy: -138.952 where: short stacking energy: -65.519 Base-Backbone interact. energy: -0.679 local terms energy: -94.079449 where: bonds (distance) C4'-P energy: -23.909 bonds (distance) P-C4' energy: -23.061 flat angles C4'-P-C4' energy: -21.037 flat angles P-C4'-P energy: -14.413 tors. eta vs tors. theta energy: -11.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -186.131454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.131454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.131454 (E_RNA) where: Base-Base interactions energy: -96.877 where: short stacking energy: -49.860 Base-Backbone interact. energy: -0.335 local terms energy: -88.919487 where: bonds (distance) C4'-P energy: -19.599 bonds (distance) P-C4' energy: -26.314 flat angles C4'-P-C4' energy: -26.013 flat angles P-C4'-P energy: -12.173 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -159.815737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.815737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.815737 (E_RNA) where: Base-Base interactions energy: -73.177 where: short stacking energy: -33.644 Base-Backbone interact. energy: -0.840 local terms energy: -85.798422 where: bonds (distance) C4'-P energy: -22.088 bonds (distance) P-C4' energy: -26.816 flat angles C4'-P-C4' energy: -21.662 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -5.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -396.633913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.633913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.633913 (E_RNA) where: Base-Base interactions energy: -268.166 where: short stacking energy: -124.259 Base-Backbone interact. energy: -1.657 local terms energy: -126.811323 where: bonds (distance) C4'-P energy: -23.609 bonds (distance) P-C4' energy: -25.493 flat angles C4'-P-C4' energy: -25.473 flat angles P-C4'-P energy: -19.989 tors. eta vs tors. theta energy: -32.247 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: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -394.042373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.042373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.042373 (E_RNA) where: Base-Base interactions energy: -273.570 where: short stacking energy: -115.615 Base-Backbone interact. energy: -0.720 local terms energy: -119.751932 where: bonds (distance) C4'-P energy: -17.478 bonds (distance) P-C4' energy: -26.968 flat angles C4'-P-C4' energy: -24.323 flat angles P-C4'-P energy: -19.732 tors. eta vs tors. theta energy: -31.251 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: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -383.830820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.830820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.830820 (E_RNA) where: Base-Base interactions energy: -260.653 where: short stacking energy: -117.148 Base-Backbone interact. energy: -0.723 local terms energy: -122.455135 where: bonds (distance) C4'-P energy: -21.620 bonds (distance) P-C4' energy: -22.102 flat angles C4'-P-C4' energy: -27.945 flat angles P-C4'-P energy: -15.782 tors. eta vs tors. theta energy: -35.006 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: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -363.028267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.028267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.028267 (E_RNA) where: Base-Base interactions energy: -245.364 where: short stacking energy: -126.169 Base-Backbone interact. energy: 0.149 local terms energy: -117.813815 where: bonds (distance) C4'-P energy: -22.182 bonds (distance) P-C4' energy: -23.673 flat angles C4'-P-C4' energy: -22.902 flat angles P-C4'-P energy: -13.651 tors. eta vs tors. theta energy: -35.406 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: 214 Temperature: 1.100000 Total energy: -340.097771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.097771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.097771 (E_RNA) where: Base-Base interactions energy: -218.563 where: short stacking energy: -107.153 Base-Backbone interact. energy: -0.405 local terms energy: -121.130501 where: bonds (distance) C4'-P energy: -25.176 bonds (distance) P-C4' energy: -20.303 flat angles C4'-P-C4' energy: -25.407 flat angles P-C4'-P energy: -20.229 tors. eta vs tors. theta energy: -30.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -315.450555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.450555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.450555 (E_RNA) where: Base-Base interactions energy: -206.071 where: short stacking energy: -88.719 Base-Backbone interact. energy: -0.477 local terms energy: -108.902444 where: bonds (distance) C4'-P energy: -25.593 bonds (distance) P-C4' energy: -23.552 flat angles C4'-P-C4' energy: -22.377 flat angles P-C4'-P energy: -14.255 tors. eta vs tors. theta energy: -23.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -248.687577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.687577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.687577 (E_RNA) where: Base-Base interactions energy: -164.192 where: short stacking energy: -81.418 Base-Backbone interact. energy: -0.034 local terms energy: -84.460745 where: bonds (distance) C4'-P energy: -20.768 bonds (distance) P-C4' energy: -17.073 flat angles C4'-P-C4' energy: -15.117 flat angles P-C4'-P energy: -12.836 tors. eta vs tors. theta energy: -18.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -250.619009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.619009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.619009 (E_RNA) where: Base-Base interactions energy: -158.317 where: short stacking energy: -68.539 Base-Backbone interact. energy: -1.372 local terms energy: -90.929728 where: bonds (distance) C4'-P energy: -23.238 bonds (distance) P-C4' energy: -22.284 flat angles C4'-P-C4' energy: -17.483 flat angles P-C4'-P energy: -15.967 tors. eta vs tors. theta energy: -11.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -192.303301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.303301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.303301 (E_RNA) where: Base-Base interactions energy: -114.714 where: short stacking energy: -64.262 Base-Backbone interact. energy: -1.196 local terms energy: -76.392825 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -22.675 flat angles P-C4'-P energy: -15.065 tors. eta vs tors. theta energy: -11.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -180.317329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.317329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.317329 (E_RNA) where: Base-Base interactions energy: -91.246 where: short stacking energy: -44.303 Base-Backbone interact. energy: -1.930 local terms energy: -87.141883 where: bonds (distance) C4'-P energy: -21.896 bonds (distance) P-C4' energy: -21.616 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -17.487 tors. eta vs tors. theta energy: -10.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -393.541027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.541027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.541027 (E_RNA) where: Base-Base interactions energy: -263.329 where: short stacking energy: -130.480 Base-Backbone interact. energy: -1.747 local terms energy: -128.465666 where: bonds (distance) C4'-P energy: -27.556 bonds (distance) P-C4' energy: -20.240 flat angles C4'-P-C4' energy: -25.504 flat angles P-C4'-P energy: -20.252 tors. eta vs tors. theta energy: -34.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -396.472936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.472936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.472936 (E_RNA) where: Base-Base interactions energy: -280.305 where: short stacking energy: -124.248 Base-Backbone interact. energy: 0.642 local terms energy: -116.810129 where: bonds (distance) C4'-P energy: -22.352 bonds (distance) P-C4' energy: -18.507 flat angles C4'-P-C4' energy: -25.119 flat angles P-C4'-P energy: -17.265 tors. eta vs tors. theta energy: -33.568 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: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -399.179201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.179201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.179201 (E_RNA) where: Base-Base interactions energy: -268.486 where: short stacking energy: -122.026 Base-Backbone interact. energy: -1.904 local terms energy: -128.789063 where: bonds (distance) C4'-P energy: -19.305 bonds (distance) P-C4' energy: -24.310 flat angles C4'-P-C4' energy: -25.147 flat angles P-C4'-P energy: -22.268 tors. eta vs tors. theta energy: -37.759 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: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -351.336149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.336149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.336149 (E_RNA) where: Base-Base interactions energy: -227.925 where: short stacking energy: -108.286 Base-Backbone interact. energy: -0.102 local terms energy: -123.309138 where: bonds (distance) C4'-P energy: -21.838 bonds (distance) P-C4' energy: -25.542 flat angles C4'-P-C4' energy: -28.425 flat angles P-C4'-P energy: -18.912 tors. eta vs tors. theta energy: -28.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -314.567029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.567029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.567029 (E_RNA) where: Base-Base interactions energy: -205.350 where: short stacking energy: -92.877 Base-Backbone interact. energy: -0.754 local terms energy: -108.462880 where: bonds (distance) C4'-P energy: -19.897 bonds (distance) P-C4' energy: -21.749 flat angles C4'-P-C4' energy: -21.262 flat angles P-C4'-P energy: -17.797 tors. eta vs tors. theta energy: -27.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -296.574429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.574429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.574429 (E_RNA) where: Base-Base interactions energy: -196.032 where: short stacking energy: -87.585 Base-Backbone interact. energy: 0.625 local terms energy: -101.167489 where: bonds (distance) C4'-P energy: -20.053 bonds (distance) P-C4' energy: -17.608 flat angles C4'-P-C4' energy: -22.279 flat angles P-C4'-P energy: -16.613 tors. eta vs tors. theta energy: -24.614 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: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -248.664323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.664323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.664323 (E_RNA) where: Base-Base interactions energy: -153.153 where: short stacking energy: -81.965 Base-Backbone interact. energy: 0.578 local terms energy: -96.089436 where: bonds (distance) C4'-P energy: -22.898 bonds (distance) P-C4' energy: -21.965 flat angles C4'-P-C4' energy: -18.837 flat angles P-C4'-P energy: -15.830 tors. eta vs tors. theta energy: -16.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -236.683409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.683409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.683409 (E_RNA) where: Base-Base interactions energy: -140.350 where: short stacking energy: -61.628 Base-Backbone interact. energy: 0.071 local terms energy: -96.404673 where: bonds (distance) C4'-P energy: -20.928 bonds (distance) P-C4' energy: -25.879 flat angles C4'-P-C4' energy: -20.142 flat angles P-C4'-P energy: -18.510 tors. eta vs tors. theta energy: -10.947 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: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -188.475896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.475896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.475896 (E_RNA) where: Base-Base interactions energy: -99.815 where: short stacking energy: -59.236 Base-Backbone interact. energy: -0.925 local terms energy: -87.736337 where: bonds (distance) C4'-P energy: -17.712 bonds (distance) P-C4' energy: -23.332 flat angles C4'-P-C4' energy: -26.482 flat angles P-C4'-P energy: -13.641 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -195.565862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.565862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.565862 (E_RNA) where: Base-Base interactions energy: -110.439 where: short stacking energy: -65.702 Base-Backbone interact. energy: -0.070 local terms energy: -85.057280 where: bonds (distance) C4'-P energy: -17.582 bonds (distance) P-C4' energy: -25.034 flat angles C4'-P-C4' energy: -17.851 flat angles P-C4'-P energy: -11.442 tors. eta vs tors. theta energy: -13.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -411.480771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.480771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.480771 (E_RNA) where: Base-Base interactions energy: -277.556 where: short stacking energy: -119.591 Base-Backbone interact. energy: -0.082 local terms energy: -133.842387 where: bonds (distance) C4'-P energy: -27.386 bonds (distance) P-C4' energy: -28.541 flat angles C4'-P-C4' energy: -26.201 flat angles P-C4'-P energy: -15.280 tors. eta vs tors. theta energy: -36.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -388.073996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.073996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.073996 (E_RNA) where: Base-Base interactions energy: -281.792 where: short stacking energy: -117.543 Base-Backbone interact. energy: -1.860 local terms energy: -104.422218 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -19.822 flat angles C4'-P-C4' energy: -23.900 flat angles P-C4'-P energy: -14.710 tors. eta vs tors. theta energy: -31.682 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: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -390.049771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.049771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.049771 (E_RNA) where: Base-Base interactions energy: -262.678 where: short stacking energy: -109.511 Base-Backbone interact. energy: -0.593 local terms energy: -126.778112 where: bonds (distance) C4'-P energy: -21.107 bonds (distance) P-C4' energy: -28.865 flat angles C4'-P-C4' energy: -25.626 flat angles P-C4'-P energy: -15.172 tors. eta vs tors. theta energy: -36.007 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: 4, replica: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -340.007494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.007494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.007494 (E_RNA) where: Base-Base interactions energy: -221.110 where: short stacking energy: -109.142 Base-Backbone interact. energy: -0.101 local terms energy: -118.796093 where: bonds (distance) C4'-P energy: -21.302 bonds (distance) P-C4' energy: -22.448 flat angles C4'-P-C4' energy: -25.674 flat angles P-C4'-P energy: -15.817 tors. eta vs tors. theta energy: -33.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -320.764123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.764123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.764123 (E_RNA) where: Base-Base interactions energy: -200.589 where: short stacking energy: -100.988 Base-Backbone interact. energy: -0.021 local terms energy: -120.153986 where: bonds (distance) C4'-P energy: -23.235 bonds (distance) P-C4' energy: -22.806 flat angles C4'-P-C4' energy: -23.614 flat angles P-C4'-P energy: -19.640 tors. eta vs tors. theta energy: -30.859 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: 216 Temperature: 1.150000 Total energy: -281.126660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.126660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.126660 (E_RNA) where: Base-Base interactions energy: -181.361 where: short stacking energy: -80.618 Base-Backbone interact. energy: -0.732 local terms energy: -99.034128 where: bonds (distance) C4'-P energy: -21.715 bonds (distance) P-C4' energy: -23.941 flat angles C4'-P-C4' energy: -19.883 flat angles P-C4'-P energy: -18.065 tors. eta vs tors. theta energy: -15.430 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: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -262.016518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.016518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.016518 (E_RNA) where: Base-Base interactions energy: -165.301 where: short stacking energy: -85.063 Base-Backbone interact. energy: -0.948 local terms energy: -95.767414 where: bonds (distance) C4'-P energy: -19.098 bonds (distance) P-C4' energy: -22.645 flat angles C4'-P-C4' energy: -24.311 flat angles P-C4'-P energy: -11.390 tors. eta vs tors. theta energy: -18.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -249.408070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.408070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.408070 (E_RNA) where: Base-Base interactions energy: -163.607 where: short stacking energy: -73.561 Base-Backbone interact. energy: 0.032 local terms energy: -85.832537 where: bonds (distance) C4'-P energy: -13.717 bonds (distance) P-C4' energy: -17.058 flat angles C4'-P-C4' energy: -24.578 flat angles P-C4'-P energy: -15.313 tors. eta vs tors. theta energy: -15.167 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: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -184.948547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.948547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.948547 (E_RNA) where: Base-Base interactions energy: -97.993 where: short stacking energy: -45.598 Base-Backbone interact. energy: -1.697 local terms energy: -85.258587 where: bonds (distance) C4'-P energy: -17.878 bonds (distance) P-C4' energy: -29.151 flat angles C4'-P-C4' energy: -20.413 flat angles P-C4'-P energy: -14.519 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -183.790544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.790544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.790544 (E_RNA) where: Base-Base interactions energy: -101.072 where: short stacking energy: -62.387 Base-Backbone interact. energy: 0.375 local terms energy: -83.093508 where: bonds (distance) C4'-P energy: -15.810 bonds (distance) P-C4' energy: -26.291 flat angles C4'-P-C4' energy: -19.377 flat angles P-C4'-P energy: -12.446 tors. eta vs tors. theta energy: -9.169 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: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -395.983273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.983273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.983273 (E_RNA) where: Base-Base interactions energy: -263.897 where: short stacking energy: -116.971 Base-Backbone interact. energy: -1.797 local terms energy: -130.289125 where: bonds (distance) C4'-P energy: -26.525 bonds (distance) P-C4' energy: -22.593 flat angles C4'-P-C4' energy: -26.392 flat angles P-C4'-P energy: -21.169 tors. eta vs tors. theta energy: -33.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -392.156320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.156320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.156320 (E_RNA) where: Base-Base interactions energy: -265.790 where: short stacking energy: -107.519 Base-Backbone interact. energy: -0.111 local terms energy: -126.254853 where: bonds (distance) C4'-P energy: -26.294 bonds (distance) P-C4' energy: -26.139 flat angles C4'-P-C4' energy: -25.143 flat angles P-C4'-P energy: -18.192 tors. eta vs tors. theta energy: -30.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -371.134643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.134643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.134643 (E_RNA) where: Base-Base interactions energy: -255.183 where: short stacking energy: -105.591 Base-Backbone interact. energy: -0.808 local terms energy: -115.144031 where: bonds (distance) C4'-P energy: -20.778 bonds (distance) P-C4' energy: -26.656 flat angles C4'-P-C4' energy: -23.753 flat angles P-C4'-P energy: -13.709 tors. eta vs tors. theta energy: -30.247 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: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -354.892215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.892215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.892215 (E_RNA) where: Base-Base interactions energy: -238.320 where: short stacking energy: -111.630 Base-Backbone interact. energy: -0.376 local terms energy: -116.195935 where: bonds (distance) C4'-P energy: -21.885 bonds (distance) P-C4' energy: -19.864 flat angles C4'-P-C4' energy: -26.726 flat angles P-C4'-P energy: -12.442 tors. eta vs tors. theta energy: -35.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -325.712117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.712117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.712117 (E_RNA) where: Base-Base interactions energy: -210.521 where: short stacking energy: -105.780 Base-Backbone interact. energy: -0.209 local terms energy: -114.982085 where: bonds (distance) C4'-P energy: -24.866 bonds (distance) P-C4' energy: -24.916 flat angles C4'-P-C4' energy: -17.769 flat angles P-C4'-P energy: -17.515 tors. eta vs tors. theta energy: -29.916 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: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -272.079499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.079499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.079499 (E_RNA) where: Base-Base interactions energy: -168.854 where: short stacking energy: -90.774 Base-Backbone interact. energy: -0.213 local terms energy: -103.012254 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -25.348 flat angles C4'-P-C4' energy: -25.829 flat angles P-C4'-P energy: -14.294 tors. eta vs tors. theta energy: -24.064 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: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -270.756384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.756384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.756384 (E_RNA) where: Base-Base interactions energy: -178.846 where: short stacking energy: -75.189 Base-Backbone interact. energy: -0.668 local terms energy: -91.242785 where: bonds (distance) C4'-P energy: -22.639 bonds (distance) P-C4' energy: -21.441 flat angles C4'-P-C4' energy: -19.759 flat angles P-C4'-P energy: -16.942 tors. eta vs tors. theta energy: -10.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -246.860116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.860116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.860116 (E_RNA) where: Base-Base interactions energy: -150.711 where: short stacking energy: -75.514 Base-Backbone interact. energy: -0.928 local terms energy: -95.221330 where: bonds (distance) C4'-P energy: -16.285 bonds (distance) P-C4' energy: -20.599 flat angles C4'-P-C4' energy: -25.160 flat angles P-C4'-P energy: -16.859 tors. eta vs tors. theta energy: -16.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -208.082650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.082650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.082650 (E_RNA) where: Base-Base interactions energy: -112.679 where: short stacking energy: -64.748 Base-Backbone interact. energy: -0.624 local terms energy: -94.779423 where: bonds (distance) C4'-P energy: -20.023 bonds (distance) P-C4' energy: -25.403 flat angles C4'-P-C4' energy: -20.054 flat angles P-C4'-P energy: -14.716 tors. eta vs tors. theta energy: -14.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -151.531390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.531390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.531390 (E_RNA) where: Base-Base interactions energy: -78.463 where: short stacking energy: -38.097 Base-Backbone interact. energy: -0.311 local terms energy: -72.756995 where: bonds (distance) C4'-P energy: -22.584 bonds (distance) P-C4' energy: -22.247 flat angles C4'-P-C4' energy: -21.337 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: 2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -402.304665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.304665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.304665 (E_RNA) where: Base-Base interactions energy: -272.887 where: short stacking energy: -114.291 Base-Backbone interact. energy: -1.673 local terms energy: -127.744694 where: bonds (distance) C4'-P energy: -24.450 bonds (distance) P-C4' energy: -25.366 flat angles C4'-P-C4' energy: -25.610 flat angles P-C4'-P energy: -21.088 tors. eta vs tors. theta energy: -31.232 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: 2, replica: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -401.584577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.584577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.584577 (E_RNA) where: Base-Base interactions energy: -269.991 where: short stacking energy: -119.764 Base-Backbone interact. energy: -1.778 local terms energy: -129.815431 where: bonds (distance) C4'-P energy: -22.091 bonds (distance) P-C4' energy: -25.808 flat angles C4'-P-C4' energy: -23.287 flat angles P-C4'-P energy: -22.107 tors. eta vs tors. theta energy: -36.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -376.237546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.237546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.237546 (E_RNA) where: Base-Base interactions energy: -248.515 where: short stacking energy: -118.455 Base-Backbone interact. energy: -0.704 local terms energy: -127.018966 where: bonds (distance) C4'-P energy: -23.918 bonds (distance) P-C4' energy: -25.347 flat angles C4'-P-C4' energy: -25.872 flat angles P-C4'-P energy: -12.678 tors. eta vs tors. theta energy: -39.204 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: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -405.610279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.610279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.610279 (E_RNA) where: Base-Base interactions energy: -271.994 where: short stacking energy: -118.643 Base-Backbone interact. energy: -0.396 local terms energy: -133.219357 where: bonds (distance) C4'-P energy: -25.624 bonds (distance) P-C4' energy: -25.852 flat angles C4'-P-C4' energy: -28.626 flat angles P-C4'-P energy: -19.223 tors. eta vs tors. theta energy: -33.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -309.407852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.407852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.407852 (E_RNA) where: Base-Base interactions energy: -196.136 where: short stacking energy: -95.936 Base-Backbone interact. energy: -0.107 local terms energy: -113.164982 where: bonds (distance) C4'-P energy: -21.211 bonds (distance) P-C4' energy: -22.841 flat angles C4'-P-C4' energy: -25.700 flat angles P-C4'-P energy: -18.001 tors. eta vs tors. theta energy: -25.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -258.238734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.238734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.238734 (E_RNA) where: Base-Base interactions energy: -164.919 where: short stacking energy: -83.642 Base-Backbone interact. energy: -0.090 local terms energy: -93.229941 where: bonds (distance) C4'-P energy: -19.384 bonds (distance) P-C4' energy: -19.664 flat angles C4'-P-C4' energy: -18.991 flat angles P-C4'-P energy: -17.290 tors. eta vs tors. theta energy: -17.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -246.872694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.872694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.872694 (E_RNA) where: Base-Base interactions energy: -159.524 where: short stacking energy: -75.264 Base-Backbone interact. energy: -0.267 local terms energy: -87.081788 where: bonds (distance) C4'-P energy: -17.649 bonds (distance) P-C4' energy: -22.948 flat angles C4'-P-C4' energy: -21.545 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -15.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -264.659987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.659987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.659987 (E_RNA) where: Base-Base interactions energy: -168.669 where: short stacking energy: -82.489 Base-Backbone interact. energy: -0.751 local terms energy: -95.239663 where: bonds (distance) C4'-P energy: -18.461 bonds (distance) P-C4' energy: -20.499 flat angles C4'-P-C4' energy: -24.965 flat angles P-C4'-P energy: -12.617 tors. eta vs tors. theta energy: -18.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -215.033167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.033167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.033167 (E_RNA) where: Base-Base interactions energy: -142.566 where: short stacking energy: -62.862 Base-Backbone interact. energy: -0.328 local terms energy: -72.138922 where: bonds (distance) C4'-P energy: -24.808 bonds (distance) P-C4' energy: -23.337 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -142.437050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.437050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.437050 (E_RNA) where: Base-Base interactions energy: -78.098 where: short stacking energy: -48.179 Base-Backbone interact. energy: -0.367 local terms energy: -63.971774 where: bonds (distance) C4'-P energy: -21.569 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -413.796257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.796257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.796257 (E_RNA) where: Base-Base interactions energy: -275.705 where: short stacking energy: -124.753 Base-Backbone interact. energy: -0.922 local terms energy: -137.169383 where: bonds (distance) C4'-P energy: -27.073 bonds (distance) P-C4' energy: -28.637 flat angles C4'-P-C4' energy: -29.883 flat angles P-C4'-P energy: -15.874 tors. eta vs tors. theta energy: -35.702 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: 4 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -375.829185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.829185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.829185 (E_RNA) where: Base-Base interactions energy: -247.999 where: short stacking energy: -129.986 Base-Backbone interact. energy: -0.092 local terms energy: -127.737657 where: bonds (distance) C4'-P energy: -23.500 bonds (distance) P-C4' energy: -22.518 flat angles C4'-P-C4' energy: -26.150 flat angles P-C4'-P energy: -15.242 tors. eta vs tors. theta energy: -40.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -385.440475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.440475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.440475 (E_RNA) where: Base-Base interactions energy: -255.180 where: short stacking energy: -124.281 Base-Backbone interact. energy: 1.297 local terms energy: -131.557473 where: bonds (distance) C4'-P energy: -21.994 bonds (distance) P-C4' energy: -27.070 flat angles C4'-P-C4' energy: -28.238 flat angles P-C4'-P energy: -18.569 tors. eta vs tors. theta energy: -35.687 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: 219 Temperature: 1.050000 Total energy: -371.457401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.457401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.457401 (E_RNA) where: Base-Base interactions energy: -256.904 where: short stacking energy: -116.316 Base-Backbone interact. energy: 1.101 local terms energy: -115.654581 where: bonds (distance) C4'-P energy: -19.582 bonds (distance) P-C4' energy: -24.590 flat angles C4'-P-C4' energy: -21.501 flat angles P-C4'-P energy: -14.364 tors. eta vs tors. theta energy: -35.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -320.180186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.180186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.180186 (E_RNA) where: Base-Base interactions energy: -222.184 where: short stacking energy: -90.970 Base-Backbone interact. energy: -1.765 local terms energy: -96.231870 where: bonds (distance) C4'-P energy: -22.631 bonds (distance) P-C4' energy: -18.248 flat angles C4'-P-C4' energy: -19.449 flat angles P-C4'-P energy: -15.982 tors. eta vs tors. theta energy: -19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -256.475990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.475990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.475990 (E_RNA) where: Base-Base interactions energy: -155.792 where: short stacking energy: -75.442 Base-Backbone interact. energy: -0.746 local terms energy: -99.937633 where: bonds (distance) C4'-P energy: -18.068 bonds (distance) P-C4' energy: -26.777 flat angles C4'-P-C4' energy: -22.236 flat angles P-C4'-P energy: -14.015 tors. eta vs tors. theta energy: -18.842 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: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -270.917852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.917852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.917852 (E_RNA) where: Base-Base interactions energy: -161.866 where: short stacking energy: -85.579 Base-Backbone interact. energy: -0.125 local terms energy: -108.926849 where: bonds (distance) C4'-P energy: -21.644 bonds (distance) P-C4' energy: -26.628 flat angles C4'-P-C4' energy: -23.366 flat angles P-C4'-P energy: -16.043 tors. eta vs tors. theta energy: -21.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -233.148054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.148054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.148054 (E_RNA) where: Base-Base interactions energy: -146.965 where: short stacking energy: -77.186 Base-Backbone interact. energy: -0.117 local terms energy: -86.065883 where: bonds (distance) C4'-P energy: -19.529 bonds (distance) P-C4' energy: -17.900 flat angles C4'-P-C4' energy: -17.870 flat angles P-C4'-P energy: -12.605 tors. eta vs tors. theta energy: -18.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -220.436533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.436533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.436533 (E_RNA) where: Base-Base interactions energy: -142.226 where: short stacking energy: -52.927 Base-Backbone interact. energy: -0.815 local terms energy: -77.395102 where: bonds (distance) C4'-P energy: -19.449 bonds (distance) P-C4' energy: -22.569 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -11.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -121.805202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.805202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.805202 (E_RNA) where: Base-Base interactions energy: -45.656 where: short stacking energy: -48.472 Base-Backbone interact. energy: -0.023 local terms energy: -76.126304 where: bonds (distance) C4'-P energy: -18.138 bonds (distance) P-C4' energy: -24.561 flat angles C4'-P-C4' energy: -22.613 flat angles P-C4'-P energy: -8.638 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: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -408.894069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.894069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.894069 (E_RNA) where: Base-Base interactions energy: -283.330 where: short stacking energy: -128.904 Base-Backbone interact. energy: -0.042 local terms energy: -125.521946 where: bonds (distance) C4'-P energy: -27.424 bonds (distance) P-C4' energy: -21.671 flat angles C4'-P-C4' energy: -24.274 flat angles P-C4'-P energy: -13.197 tors. eta vs tors. theta energy: -38.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -386.498950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.498950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.498950 (E_RNA) where: Base-Base interactions energy: -249.678 where: short stacking energy: -130.180 Base-Backbone interact. energy: -0.078 local terms energy: -136.742832 where: bonds (distance) C4'-P energy: -24.358 bonds (distance) P-C4' energy: -25.455 flat angles C4'-P-C4' energy: -28.698 flat angles P-C4'-P energy: -19.443 tors. eta vs tors. theta energy: -38.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -389.046681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.046681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.046681 (E_RNA) where: Base-Base interactions energy: -268.988 where: short stacking energy: -120.503 Base-Backbone interact. energy: -0.147 local terms energy: -119.911592 where: bonds (distance) C4'-P energy: -24.469 bonds (distance) P-C4' energy: -20.107 flat angles C4'-P-C4' energy: -25.750 flat angles P-C4'-P energy: -15.838 tors. eta vs tors. theta energy: -33.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -385.379864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.379864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.379864 (E_RNA) where: Base-Base interactions energy: -266.408 where: short stacking energy: -118.143 Base-Backbone interact. energy: -2.195 local terms energy: -116.776510 where: bonds (distance) C4'-P energy: -17.790 bonds (distance) P-C4' energy: -23.406 flat angles C4'-P-C4' energy: -29.847 flat angles P-C4'-P energy: -14.516 tors. eta vs tors. theta energy: -31.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -313.275070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.275070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.275070 (E_RNA) where: Base-Base interactions energy: -206.373 where: short stacking energy: -101.564 Base-Backbone interact. energy: -0.729 local terms energy: -106.172531 where: bonds (distance) C4'-P energy: -22.882 bonds (distance) P-C4' energy: -21.386 flat angles C4'-P-C4' energy: -27.034 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -25.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -269.961812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.961812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.961812 (E_RNA) where: Base-Base interactions energy: -163.760 where: short stacking energy: -84.706 Base-Backbone interact. energy: -0.894 local terms energy: -105.308136 where: bonds (distance) C4'-P energy: -19.301 bonds (distance) P-C4' energy: -27.120 flat angles C4'-P-C4' energy: -26.402 flat angles P-C4'-P energy: -15.794 tors. eta vs tors. theta energy: -16.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -239.123181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.123181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.123181 (E_RNA) where: Base-Base interactions energy: -143.496 where: short stacking energy: -74.614 Base-Backbone interact. energy: -0.110 local terms energy: -95.517473 where: bonds (distance) C4'-P energy: -22.820 bonds (distance) P-C4' energy: -22.739 flat angles C4'-P-C4' energy: -26.262 flat angles P-C4'-P energy: -10.428 tors. eta vs tors. theta energy: -13.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -250.352098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.352098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.352098 (E_RNA) where: Base-Base interactions energy: -153.392 where: short stacking energy: -64.847 Base-Backbone interact. energy: -0.554 local terms energy: -96.406395 where: bonds (distance) C4'-P energy: -22.088 bonds (distance) P-C4' energy: -26.224 flat angles C4'-P-C4' energy: -21.038 flat angles P-C4'-P energy: -12.498 tors. eta vs tors. theta energy: -14.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -185.290806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.290806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.290806 (E_RNA) where: Base-Base interactions energy: -106.318 where: short stacking energy: -64.269 Base-Backbone interact. energy: 0.058 local terms energy: -79.030753 where: bonds (distance) C4'-P energy: -18.502 bonds (distance) P-C4' energy: -19.245 flat angles C4'-P-C4' energy: -23.287 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -11.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -124.036237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.036237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.036237 (E_RNA) where: Base-Base interactions energy: -58.964 where: short stacking energy: -48.166 Base-Backbone interact. energy: -0.287 local terms energy: -64.784575 where: bonds (distance) C4'-P energy: -23.606 bonds (distance) P-C4' energy: -20.478 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: -7.206 tors. eta vs tors. theta energy: -4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -397.025091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.025091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.025091 (E_RNA) where: Base-Base interactions energy: -266.931 where: short stacking energy: -119.341 Base-Backbone interact. energy: -0.740 local terms energy: -129.354010 where: bonds (distance) C4'-P energy: -24.931 bonds (distance) P-C4' energy: -26.764 flat angles C4'-P-C4' energy: -24.934 flat angles P-C4'-P energy: -16.033 tors. eta vs tors. theta energy: -36.692 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: 221 Temperature: 0.950000 Total energy: -392.244891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.244891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.244891 (E_RNA) where: Base-Base interactions energy: -261.104 where: short stacking energy: -110.610 Base-Backbone interact. energy: -0.013 local terms energy: -131.127861 where: bonds (distance) C4'-P energy: -25.155 bonds (distance) P-C4' energy: -29.727 flat angles C4'-P-C4' energy: -26.748 flat angles P-C4'-P energy: -18.267 tors. eta vs tors. theta energy: -31.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -366.805496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.805496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.805496 (E_RNA) where: Base-Base interactions energy: -234.459 where: short stacking energy: -122.016 Base-Backbone interact. energy: -1.179 local terms energy: -131.167590 where: bonds (distance) C4'-P energy: -26.454 bonds (distance) P-C4' energy: -26.705 flat angles C4'-P-C4' energy: -22.612 flat angles P-C4'-P energy: -16.798 tors. eta vs tors. theta energy: -38.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -379.253723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.253723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.253723 (E_RNA) where: Base-Base interactions energy: -255.862 where: short stacking energy: -116.047 Base-Backbone interact. energy: -0.288 local terms energy: -123.102772 where: bonds (distance) C4'-P energy: -21.897 bonds (distance) P-C4' energy: -27.999 flat angles C4'-P-C4' energy: -24.507 flat angles P-C4'-P energy: -14.646 tors. eta vs tors. theta energy: -34.054 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: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -335.593958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.593958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.593958 (E_RNA) where: Base-Base interactions energy: -214.441 where: short stacking energy: -111.320 Base-Backbone interact. energy: -0.109 local terms energy: -121.044319 where: bonds (distance) C4'-P energy: -22.257 bonds (distance) P-C4' energy: -26.333 flat angles C4'-P-C4' energy: -25.976 flat angles P-C4'-P energy: -18.361 tors. eta vs tors. theta energy: -28.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -258.862788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.862788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.862788 (E_RNA) where: Base-Base interactions energy: -161.191 where: short stacking energy: -80.775 Base-Backbone interact. energy: -0.079 local terms energy: -97.592605 where: bonds (distance) C4'-P energy: -18.589 bonds (distance) P-C4' energy: -24.122 flat angles C4'-P-C4' energy: -25.632 flat angles P-C4'-P energy: -13.147 tors. eta vs tors. theta energy: -16.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -257.025791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.025791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.025791 (E_RNA) where: Base-Base interactions energy: -154.374 where: short stacking energy: -79.378 Base-Backbone interact. energy: -0.650 local terms energy: -102.001517 where: bonds (distance) C4'-P energy: -24.648 bonds (distance) P-C4' energy: -18.852 flat angles C4'-P-C4' energy: -23.489 flat angles P-C4'-P energy: -14.920 tors. eta vs tors. theta energy: -20.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -247.058327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.058327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.058327 (E_RNA) where: Base-Base interactions energy: -155.599 where: short stacking energy: -74.203 Base-Backbone interact. energy: 1.083 local terms energy: -92.542405 where: bonds (distance) C4'-P energy: -21.397 bonds (distance) P-C4' energy: -21.995 flat angles C4'-P-C4' energy: -19.026 flat angles P-C4'-P energy: -19.746 tors. eta vs tors. theta energy: -10.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -210.750224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.750224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.750224 (E_RNA) where: Base-Base interactions energy: -122.287 where: short stacking energy: -64.435 Base-Backbone interact. energy: 1.169 local terms energy: -89.632506 where: bonds (distance) C4'-P energy: -22.244 bonds (distance) P-C4' energy: -18.169 flat angles C4'-P-C4' energy: -22.822 flat angles P-C4'-P energy: -13.745 tors. eta vs tors. theta energy: -12.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -133.766831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.766831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.766831 (E_RNA) where: Base-Base interactions energy: -66.823 where: short stacking energy: -46.207 Base-Backbone interact. energy: 0.114 local terms energy: -67.058136 where: bonds (distance) C4'-P energy: -19.027 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -21.659 flat angles P-C4'-P energy: -12.791 tors. eta vs tors. theta energy: 2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -405.661674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.661674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.661674 (E_RNA) where: Base-Base interactions energy: -272.639 where: short stacking energy: -118.299 Base-Backbone interact. energy: -0.004 local terms energy: -133.018727 where: bonds (distance) C4'-P energy: -22.928 bonds (distance) P-C4' energy: -29.285 flat angles C4'-P-C4' energy: -26.963 flat angles P-C4'-P energy: -17.700 tors. eta vs tors. theta energy: -36.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -400.328930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.328930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.328930 (E_RNA) where: Base-Base interactions energy: -276.440 where: short stacking energy: -118.767 Base-Backbone interact. energy: -0.197 local terms energy: -123.691932 where: bonds (distance) C4'-P energy: -23.347 bonds (distance) P-C4' energy: -23.415 flat angles C4'-P-C4' energy: -25.456 flat angles P-C4'-P energy: -19.823 tors. eta vs tors. theta energy: -31.651 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: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -373.555647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.555647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.555647 (E_RNA) where: Base-Base interactions energy: -255.387 where: short stacking energy: -112.968 Base-Backbone interact. energy: -0.313 local terms energy: -117.855717 where: bonds (distance) C4'-P energy: -20.012 bonds (distance) P-C4' energy: -23.831 flat angles C4'-P-C4' energy: -26.125 flat angles P-C4'-P energy: -14.577 tors. eta vs tors. theta energy: -33.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -353.646003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.646003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.646003 (E_RNA) where: Base-Base interactions energy: -235.538 where: short stacking energy: -113.240 Base-Backbone interact. energy: -0.960 local terms energy: -117.147650 where: bonds (distance) C4'-P energy: -17.376 bonds (distance) P-C4' energy: -25.722 flat angles C4'-P-C4' energy: -24.298 flat angles P-C4'-P energy: -17.146 tors. eta vs tors. theta energy: -32.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -271.441645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.441645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.441645 (E_RNA) where: Base-Base interactions energy: -174.023 where: short stacking energy: -84.935 Base-Backbone interact. energy: -0.883 local terms energy: -96.535439 where: bonds (distance) C4'-P energy: -23.971 bonds (distance) P-C4' energy: -18.879 flat angles C4'-P-C4' energy: -21.492 flat angles P-C4'-P energy: -16.931 tors. eta vs tors. theta energy: -15.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -292.135440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.135440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.135440 (E_RNA) where: Base-Base interactions energy: -193.707 where: short stacking energy: -87.694 Base-Backbone interact. energy: -0.138 local terms energy: -98.291085 where: bonds (distance) C4'-P energy: -23.051 bonds (distance) P-C4' energy: -18.349 flat angles C4'-P-C4' energy: -24.050 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -21.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -230.083854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.083854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.083854 (E_RNA) where: Base-Base interactions energy: -153.475 where: short stacking energy: -65.301 Base-Backbone interact. energy: -0.175 local terms energy: -76.433758 where: bonds (distance) C4'-P energy: -22.946 bonds (distance) P-C4' energy: -18.011 flat angles C4'-P-C4' energy: -22.587 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -235.813227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.813227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.813227 (E_RNA) where: Base-Base interactions energy: -142.657 where: short stacking energy: -66.955 Base-Backbone interact. energy: -0.468 local terms energy: -92.688464 where: bonds (distance) C4'-P energy: -22.653 bonds (distance) P-C4' energy: -17.986 flat angles C4'-P-C4' energy: -20.505 flat angles P-C4'-P energy: -19.593 tors. eta vs tors. theta energy: -11.951 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: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -219.969510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.969510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.969510 (E_RNA) where: Base-Base interactions energy: -128.456 where: short stacking energy: -66.301 Base-Backbone interact. energy: -0.142 local terms energy: -91.371465 where: bonds (distance) C4'-P energy: -19.197 bonds (distance) P-C4' energy: -24.070 flat angles C4'-P-C4' energy: -20.259 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -21.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -131.523794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.523794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.523794 (E_RNA) where: Base-Base interactions energy: -57.818 where: short stacking energy: -34.331 Base-Backbone interact. energy: -0.142 local terms energy: -73.563924 where: bonds (distance) C4'-P energy: -19.289 bonds (distance) P-C4' energy: -16.787 flat angles C4'-P-C4' energy: -19.455 flat angles P-C4'-P energy: -14.141 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -408.247918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.247918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.247918 (E_RNA) where: Base-Base interactions energy: -279.250 where: short stacking energy: -127.465 Base-Backbone interact. energy: -0.045 local terms energy: -128.953688 where: bonds (distance) C4'-P energy: -24.038 bonds (distance) P-C4' energy: -23.073 flat angles C4'-P-C4' energy: -29.214 flat angles P-C4'-P energy: -15.422 tors. eta vs tors. theta energy: -37.207 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: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -397.636871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.636871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.636871 (E_RNA) where: Base-Base interactions energy: -273.196 where: short stacking energy: -119.222 Base-Backbone interact. energy: -1.203 local terms energy: -123.238364 where: bonds (distance) C4'-P energy: -23.938 bonds (distance) P-C4' energy: -23.724 flat angles C4'-P-C4' energy: -26.040 flat angles P-C4'-P energy: -15.610 tors. eta vs tors. theta energy: -33.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -347.967362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.967362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.967362 (E_RNA) where: Base-Base interactions energy: -235.383 where: short stacking energy: -104.625 Base-Backbone interact. energy: -0.777 local terms energy: -111.807552 where: bonds (distance) C4'-P energy: -19.234 bonds (distance) P-C4' energy: -23.341 flat angles C4'-P-C4' energy: -22.487 flat angles P-C4'-P energy: -19.545 tors. eta vs tors. theta energy: -27.201 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: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -351.516222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.516222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.516222 (E_RNA) where: Base-Base interactions energy: -222.276 where: short stacking energy: -99.392 Base-Backbone interact. energy: -0.219 local terms energy: -129.021443 where: bonds (distance) C4'-P energy: -25.059 bonds (distance) P-C4' energy: -27.259 flat angles C4'-P-C4' energy: -24.521 flat angles P-C4'-P energy: -17.101 tors. eta vs tors. theta energy: -35.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -283.225782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.225782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.225782 (E_RNA) where: Base-Base interactions energy: -178.256 where: short stacking energy: -89.318 Base-Backbone interact. energy: 0.531 local terms energy: -105.500941 where: bonds (distance) C4'-P energy: -23.201 bonds (distance) P-C4' energy: -19.715 flat angles C4'-P-C4' energy: -24.673 flat angles P-C4'-P energy: -16.719 tors. eta vs tors. theta energy: -21.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -300.727308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.727308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.727308 (E_RNA) where: Base-Base interactions energy: -193.054 where: short stacking energy: -89.084 Base-Backbone interact. energy: -0.395 local terms energy: -107.277865 where: bonds (distance) C4'-P energy: -17.099 bonds (distance) P-C4' energy: -22.535 flat angles C4'-P-C4' energy: -26.154 flat angles P-C4'-P energy: -16.473 tors. eta vs tors. theta energy: -25.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -243.466578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.466578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.466578 (E_RNA) where: Base-Base interactions energy: -152.407 where: short stacking energy: -78.116 Base-Backbone interact. energy: -0.532 local terms energy: -90.527095 where: bonds (distance) C4'-P energy: -17.591 bonds (distance) P-C4' energy: -27.748 flat angles C4'-P-C4' energy: -21.040 flat angles P-C4'-P energy: -13.911 tors. eta vs tors. theta energy: -10.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -234.688603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.688603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.688603 (E_RNA) where: Base-Base interactions energy: -150.324 where: short stacking energy: -59.149 Base-Backbone interact. energy: 1.184 local terms energy: -85.548600 where: bonds (distance) C4'-P energy: -20.596 bonds (distance) P-C4' energy: -22.465 flat angles C4'-P-C4' energy: -21.816 flat angles P-C4'-P energy: -13.100 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: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -184.900686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.900686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.900686 (E_RNA) where: Base-Base interactions energy: -111.847 where: short stacking energy: -68.825 Base-Backbone interact. energy: 0.683 local terms energy: -73.736619 where: bonds (distance) C4'-P energy: -18.078 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -18.549 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -9.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -141.669429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.669429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.669429 (E_RNA) where: Base-Base interactions energy: -66.167 where: short stacking energy: -36.040 Base-Backbone interact. energy: -1.825 local terms energy: -73.677340 where: bonds (distance) C4'-P energy: -14.685 bonds (distance) P-C4' energy: -24.526 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -15.443 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: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -408.100212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.100212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.100212 (E_RNA) where: Base-Base interactions energy: -274.470 where: short stacking energy: -125.217 Base-Backbone interact. energy: -0.113 local terms energy: -133.517216 where: bonds (distance) C4'-P energy: -23.482 bonds (distance) P-C4' energy: -24.210 flat angles C4'-P-C4' energy: -29.859 flat angles P-C4'-P energy: -17.798 tors. eta vs tors. theta energy: -38.169 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: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -403.453635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.453635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.453635 (E_RNA) where: Base-Base interactions energy: -273.183 where: short stacking energy: -128.547 Base-Backbone interact. energy: 0.853 local terms energy: -131.123751 where: bonds (distance) C4'-P energy: -22.108 bonds (distance) P-C4' energy: -25.584 flat angles C4'-P-C4' energy: -26.851 flat angles P-C4'-P energy: -19.108 tors. eta vs tors. theta energy: -37.473 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: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -357.621609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.621609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.621609 (E_RNA) where: Base-Base interactions energy: -244.590 where: short stacking energy: -107.256 Base-Backbone interact. energy: -2.206 local terms energy: -110.825706 where: bonds (distance) C4'-P energy: -16.791 bonds (distance) P-C4' energy: -23.690 flat angles C4'-P-C4' energy: -24.562 flat angles P-C4'-P energy: -16.154 tors. eta vs tors. theta energy: -29.627 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: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -357.979316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.979316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.979316 (E_RNA) where: Base-Base interactions energy: -237.020 where: short stacking energy: -122.869 Base-Backbone interact. energy: -0.024 local terms energy: -120.934874 where: bonds (distance) C4'-P energy: -20.145 bonds (distance) P-C4' energy: -20.011 flat angles C4'-P-C4' energy: -26.986 flat angles P-C4'-P energy: -14.947 tors. eta vs tors. theta energy: -38.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -306.902996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.902996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.902996 (E_RNA) where: Base-Base interactions energy: -193.084 where: short stacking energy: -81.184 Base-Backbone interact. energy: -0.169 local terms energy: -113.650605 where: bonds (distance) C4'-P energy: -22.828 bonds (distance) P-C4' energy: -24.479 flat angles C4'-P-C4' energy: -23.528 flat angles P-C4'-P energy: -19.102 tors. eta vs tors. theta energy: -23.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -274.045979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.045979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.045979 (E_RNA) where: Base-Base interactions energy: -171.628 where: short stacking energy: -71.813 Base-Backbone interact. energy: -0.427 local terms energy: -101.990817 where: bonds (distance) C4'-P energy: -20.046 bonds (distance) P-C4' energy: -24.367 flat angles C4'-P-C4' energy: -24.847 flat angles P-C4'-P energy: -13.516 tors. eta vs tors. theta energy: -19.215 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: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -241.173876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.173876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.173876 (E_RNA) where: Base-Base interactions energy: -152.999 where: short stacking energy: -79.913 Base-Backbone interact. energy: -0.382 local terms energy: -87.792307 where: bonds (distance) C4'-P energy: -22.663 bonds (distance) P-C4' energy: -24.602 flat angles C4'-P-C4' energy: -16.146 flat angles P-C4'-P energy: -12.099 tors. eta vs tors. theta energy: -12.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -235.818411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.818411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.818411 (E_RNA) where: Base-Base interactions energy: -145.283 where: short stacking energy: -60.212 Base-Backbone interact. energy: -1.027 local terms energy: -89.508782 where: bonds (distance) C4'-P energy: -26.558 bonds (distance) P-C4' energy: -19.559 flat angles C4'-P-C4' energy: -25.288 flat angles P-C4'-P energy: -12.316 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: 9, replica: 6 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -179.623198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.623198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.623198 (E_RNA) where: Base-Base interactions energy: -103.484 where: short stacking energy: -64.909 Base-Backbone interact. energy: 0.055 local terms energy: -76.195114 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -18.026 flat angles C4'-P-C4' energy: -18.874 flat angles P-C4'-P energy: -13.285 tors. eta vs tors. theta energy: -12.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -178.678204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.678204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.678204 (E_RNA) where: Base-Base interactions energy: -100.919 where: short stacking energy: -54.973 Base-Backbone interact. energy: -0.274 local terms energy: -77.484793 where: bonds (distance) C4'-P energy: -19.008 bonds (distance) P-C4' energy: -21.355 flat angles C4'-P-C4' energy: -12.267 flat angles P-C4'-P energy: -12.937 tors. eta vs tors. theta energy: -11.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -402.779968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.779968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.779968 (E_RNA) where: Base-Base interactions energy: -279.539 where: short stacking energy: -115.545 Base-Backbone interact. energy: -0.596 local terms energy: -122.644476 where: bonds (distance) C4'-P energy: -23.591 bonds (distance) P-C4' energy: -24.324 flat angles C4'-P-C4' energy: -21.976 flat angles P-C4'-P energy: -19.184 tors. eta vs tors. theta energy: -33.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -386.087692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.087692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.087692 (E_RNA) where: Base-Base interactions energy: -263.186 where: short stacking energy: -108.105 Base-Backbone interact. energy: -0.478 local terms energy: -122.423138 where: bonds (distance) C4'-P energy: -25.753 bonds (distance) P-C4' energy: -25.837 flat angles C4'-P-C4' energy: -22.689 flat angles P-C4'-P energy: -18.296 tors. eta vs tors. theta energy: -29.849 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: 225 Temperature: 1.000000 Total energy: -400.270268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.270268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.270268 (E_RNA) where: Base-Base interactions energy: -266.655 where: short stacking energy: -112.139 Base-Backbone interact. energy: -0.019 local terms energy: -133.597063 where: bonds (distance) C4'-P energy: -25.147 bonds (distance) P-C4' energy: -24.427 flat angles C4'-P-C4' energy: -28.771 flat angles P-C4'-P energy: -16.905 tors. eta vs tors. theta energy: -38.346 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: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -319.435136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.435136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.435136 (E_RNA) where: Base-Base interactions energy: -205.068 where: short stacking energy: -87.365 Base-Backbone interact. energy: 0.097 local terms energy: -114.464690 where: bonds (distance) C4'-P energy: -23.364 bonds (distance) P-C4' energy: -25.818 flat angles C4'-P-C4' energy: -23.802 flat angles P-C4'-P energy: -15.579 tors. eta vs tors. theta energy: -25.902 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: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -351.155695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.155695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.155695 (E_RNA) where: Base-Base interactions energy: -239.155 where: short stacking energy: -120.564 Base-Backbone interact. energy: 0.123 local terms energy: -112.123268 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -24.426 flat angles C4'-P-C4' energy: -21.564 flat angles P-C4'-P energy: -18.564 tors. eta vs tors. theta energy: -35.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -264.915149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.915149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.915149 (E_RNA) where: Base-Base interactions energy: -174.344 where: short stacking energy: -63.938 Base-Backbone interact. energy: -0.766 local terms energy: -89.804697 where: bonds (distance) C4'-P energy: -17.547 bonds (distance) P-C4' energy: -21.906 flat angles C4'-P-C4' energy: -21.923 flat angles P-C4'-P energy: -11.406 tors. eta vs tors. theta energy: -17.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -252.848907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.848907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.848907 (E_RNA) where: Base-Base interactions energy: -160.634 where: short stacking energy: -73.897 Base-Backbone interact. energy: -0.306 local terms energy: -91.909133 where: bonds (distance) C4'-P energy: -16.006 bonds (distance) P-C4' energy: -25.243 flat angles C4'-P-C4' energy: -24.461 flat angles P-C4'-P energy: -14.208 tors. eta vs tors. theta energy: -11.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -197.966944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.966944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.966944 (E_RNA) where: Base-Base interactions energy: -118.640 where: short stacking energy: -57.304 Base-Backbone interact. energy: -0.331 local terms energy: -78.995405 where: bonds (distance) C4'-P energy: -19.068 bonds (distance) P-C4' energy: -21.718 flat angles C4'-P-C4' energy: -22.454 flat angles P-C4'-P energy: -6.461 tors. eta vs tors. theta energy: -9.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -224.146519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.146519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.146519 (E_RNA) where: Base-Base interactions energy: -137.872 where: short stacking energy: -62.185 Base-Backbone interact. energy: -0.921 local terms energy: -85.353453 where: bonds (distance) C4'-P energy: -24.016 bonds (distance) P-C4' energy: -27.034 flat angles C4'-P-C4' energy: -23.693 flat angles P-C4'-P energy: -2.771 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: 10, replica: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -182.170470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.170470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.170470 (E_RNA) where: Base-Base interactions energy: -103.058 where: short stacking energy: -45.584 Base-Backbone interact. energy: -0.075 local terms energy: -79.037953 where: bonds (distance) C4'-P energy: -24.302 bonds (distance) P-C4' energy: -21.208 flat angles C4'-P-C4' energy: -23.207 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -414.069900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.069900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.069900 (E_RNA) where: Base-Base interactions energy: -287.799 where: short stacking energy: -123.206 Base-Backbone interact. energy: -1.046 local terms energy: -125.224699 where: bonds (distance) C4'-P energy: -23.819 bonds (distance) P-C4' energy: -27.217 flat angles C4'-P-C4' energy: -27.020 flat angles P-C4'-P energy: -16.883 tors. eta vs tors. theta energy: -30.287 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: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -398.116113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.116113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.116113 (E_RNA) where: Base-Base interactions energy: -262.429 where: short stacking energy: -123.249 Base-Backbone interact. energy: -0.717 local terms energy: -134.970563 where: bonds (distance) C4'-P energy: -24.228 bonds (distance) P-C4' energy: -26.799 flat angles C4'-P-C4' energy: -28.736 flat angles P-C4'-P energy: -17.716 tors. eta vs tors. theta energy: -37.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -391.526682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.526682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.526682 (E_RNA) where: Base-Base interactions energy: -271.770 where: short stacking energy: -115.041 Base-Backbone interact. energy: -0.033 local terms energy: -119.724059 where: bonds (distance) C4'-P energy: -25.075 bonds (distance) P-C4' energy: -20.136 flat angles C4'-P-C4' energy: -27.208 flat angles P-C4'-P energy: -11.881 tors. eta vs tors. theta energy: -35.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -330.785202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.785202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.785202 (E_RNA) where: Base-Base interactions energy: -214.330 where: short stacking energy: -106.712 Base-Backbone interact. energy: -0.178 local terms energy: -116.276652 where: bonds (distance) C4'-P energy: -24.617 bonds (distance) P-C4' energy: -23.373 flat angles C4'-P-C4' energy: -21.307 flat angles P-C4'-P energy: -15.945 tors. eta vs tors. theta energy: -31.035 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: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -335.195303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.195303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.195303 (E_RNA) where: Base-Base interactions energy: -228.955 where: short stacking energy: -104.668 Base-Backbone interact. energy: -0.271 local terms energy: -105.969984 where: bonds (distance) C4'-P energy: -18.251 bonds (distance) P-C4' energy: -22.320 flat angles C4'-P-C4' energy: -24.240 flat angles P-C4'-P energy: -13.953 tors. eta vs tors. theta energy: -27.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -259.947117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.947117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.947117 (E_RNA) where: Base-Base interactions energy: -161.389 where: short stacking energy: -74.783 Base-Backbone interact. energy: -0.132 local terms energy: -98.425944 where: bonds (distance) C4'-P energy: -19.581 bonds (distance) P-C4' energy: -20.637 flat angles C4'-P-C4' energy: -18.532 flat angles P-C4'-P energy: -22.257 tors. eta vs tors. theta energy: -17.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -247.328845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.328845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.328845 (E_RNA) where: Base-Base interactions energy: -161.621 where: short stacking energy: -80.957 Base-Backbone interact. energy: -0.025 local terms energy: -85.682835 where: bonds (distance) C4'-P energy: -26.332 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -19.930 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -183.421675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.421675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.421675 (E_RNA) where: Base-Base interactions energy: -106.591 where: short stacking energy: -64.301 Base-Backbone interact. energy: -0.091 local terms energy: -76.740034 where: bonds (distance) C4'-P energy: -23.407 bonds (distance) P-C4' energy: -22.315 flat angles C4'-P-C4' energy: -14.429 flat angles P-C4'-P energy: -10.876 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -230.147785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.147785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.147785 (E_RNA) where: Base-Base interactions energy: -138.303 where: short stacking energy: -56.685 Base-Backbone interact. energy: 1.287 local terms energy: -93.131293 where: bonds (distance) C4'-P energy: -23.929 bonds (distance) P-C4' energy: -25.249 flat angles C4'-P-C4' energy: -22.257 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -11.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -166.159861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.159861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.159861 (E_RNA) where: Base-Base interactions energy: -93.376 where: short stacking energy: -48.858 Base-Backbone interact. energy: -0.519 local terms energy: -72.264886 where: bonds (distance) C4'-P energy: -24.347 bonds (distance) P-C4' energy: -15.717 flat angles C4'-P-C4' energy: -20.763 flat angles P-C4'-P energy: -12.142 tors. eta vs tors. theta energy: 0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -415.457358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.457358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.457358 (E_RNA) where: Base-Base interactions energy: -288.868 where: short stacking energy: -125.004 Base-Backbone interact. energy: -1.001 local terms energy: -125.588080 where: bonds (distance) C4'-P energy: -21.278 bonds (distance) P-C4' energy: -27.671 flat angles C4'-P-C4' energy: -26.340 flat angles P-C4'-P energy: -18.961 tors. eta vs tors. theta energy: -31.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -395.481823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.481823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.481823 (E_RNA) where: Base-Base interactions energy: -281.563 where: short stacking energy: -118.756 Base-Backbone interact. energy: -0.009 local terms energy: -113.909701 where: bonds (distance) C4'-P energy: -18.510 bonds (distance) P-C4' energy: -22.539 flat angles C4'-P-C4' energy: -24.331 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -36.940 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: 227 Temperature: 1.000000 Total energy: -392.155572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.155572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.155572 (E_RNA) where: Base-Base interactions energy: -272.378 where: short stacking energy: -123.152 Base-Backbone interact. energy: 0.469 local terms energy: -120.246920 where: bonds (distance) C4'-P energy: -19.121 bonds (distance) P-C4' energy: -22.588 flat angles C4'-P-C4' energy: -27.336 flat angles P-C4'-P energy: -13.381 tors. eta vs tors. theta energy: -37.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -341.233098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.233098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.233098 (E_RNA) where: Base-Base interactions energy: -224.547 where: short stacking energy: -112.766 Base-Backbone interact. energy: -0.221 local terms energy: -116.465870 where: bonds (distance) C4'-P energy: -19.358 bonds (distance) P-C4' energy: -25.176 flat angles C4'-P-C4' energy: -24.491 flat angles P-C4'-P energy: -13.810 tors. eta vs tors. theta energy: -33.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -326.675938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.675938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.675938 (E_RNA) where: Base-Base interactions energy: -219.367 where: short stacking energy: -104.940 Base-Backbone interact. energy: -0.025 local terms energy: -107.283393 where: bonds (distance) C4'-P energy: -20.801 bonds (distance) P-C4' energy: -21.701 flat angles C4'-P-C4' energy: -23.411 flat angles P-C4'-P energy: -14.927 tors. eta vs tors. theta energy: -26.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -269.187844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.187844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.187844 (E_RNA) where: Base-Base interactions energy: -175.334 where: short stacking energy: -85.998 Base-Backbone interact. energy: -0.144 local terms energy: -93.709925 where: bonds (distance) C4'-P energy: -19.275 bonds (distance) P-C4' energy: -23.176 flat angles C4'-P-C4' energy: -21.740 flat angles P-C4'-P energy: -14.048 tors. eta vs tors. theta energy: -15.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -247.159403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.159403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.159403 (E_RNA) where: Base-Base interactions energy: -156.820 where: short stacking energy: -74.678 Base-Backbone interact. energy: -1.226 local terms energy: -89.113551 where: bonds (distance) C4'-P energy: -22.248 bonds (distance) P-C4' energy: -21.349 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -12.290 tors. eta vs tors. theta energy: -16.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -237.905259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.905259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.905259 (E_RNA) where: Base-Base interactions energy: -150.616 where: short stacking energy: -73.450 Base-Backbone interact. energy: 0.389 local terms energy: -87.678154 where: bonds (distance) C4'-P energy: -20.358 bonds (distance) P-C4' energy: -21.322 flat angles C4'-P-C4' energy: -21.187 flat angles P-C4'-P energy: -12.640 tors. eta vs tors. theta energy: -12.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -179.022781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.022781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.022781 (E_RNA) where: Base-Base interactions energy: -104.308 where: short stacking energy: -41.602 Base-Backbone interact. energy: -1.270 local terms energy: -73.444205 where: bonds (distance) C4'-P energy: -14.839 bonds (distance) P-C4' energy: -22.834 flat angles C4'-P-C4' energy: -20.517 flat angles P-C4'-P energy: -11.424 tors. eta vs tors. theta energy: -3.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -187.498502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.498502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.498502 (E_RNA) where: Base-Base interactions energy: -107.748 where: short stacking energy: -60.541 Base-Backbone interact. energy: -0.395 local terms energy: -79.355834 where: bonds (distance) C4'-P energy: -20.641 bonds (distance) P-C4' energy: -17.436 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -17.804 tors. eta vs tors. theta energy: -9.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -417.139784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.139784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.139784 (E_RNA) where: Base-Base interactions energy: -296.137 where: short stacking energy: -117.259 Base-Backbone interact. energy: -0.112 local terms energy: -120.890920 where: bonds (distance) C4'-P energy: -23.300 bonds (distance) P-C4' energy: -25.438 flat angles C4'-P-C4' energy: -27.921 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -33.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -396.012599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.012599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.012599 (E_RNA) where: Base-Base interactions energy: -270.913 where: short stacking energy: -122.519 Base-Backbone interact. energy: 1.302 local terms energy: -126.401431 where: bonds (distance) C4'-P energy: -22.840 bonds (distance) P-C4' energy: -26.538 flat angles C4'-P-C4' energy: -26.017 flat angles P-C4'-P energy: -15.172 tors. eta vs tors. theta energy: -35.834 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: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -401.194237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.194237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.194237 (E_RNA) where: Base-Base interactions energy: -267.630 where: short stacking energy: -124.682 Base-Backbone interact. energy: -0.725 local terms energy: -132.839306 where: bonds (distance) C4'-P energy: -24.067 bonds (distance) P-C4' energy: -22.697 flat angles C4'-P-C4' energy: -26.668 flat angles P-C4'-P energy: -18.830 tors. eta vs tors. theta energy: -40.578 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: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -344.384742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.384742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.384742 (E_RNA) where: Base-Base interactions energy: -240.392 where: short stacking energy: -109.117 Base-Backbone interact. energy: -1.203 local terms energy: -102.789293 where: bonds (distance) C4'-P energy: -17.065 bonds (distance) P-C4' energy: -20.520 flat angles C4'-P-C4' energy: -23.671 flat angles P-C4'-P energy: -13.338 tors. eta vs tors. theta energy: -28.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -314.954806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.954806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.954806 (E_RNA) where: Base-Base interactions energy: -208.434 where: short stacking energy: -103.889 Base-Backbone interact. energy: 0.023 local terms energy: -106.544509 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -25.413 flat angles C4'-P-C4' energy: -24.695 flat angles P-C4'-P energy: -12.904 tors. eta vs tors. theta energy: -27.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -271.275375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.275375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.275375 (E_RNA) where: Base-Base interactions energy: -166.160 where: short stacking energy: -82.216 Base-Backbone interact. energy: 0.865 local terms energy: -105.980302 where: bonds (distance) C4'-P energy: -17.831 bonds (distance) P-C4' energy: -26.852 flat angles C4'-P-C4' energy: -25.908 flat angles P-C4'-P energy: -15.378 tors. eta vs tors. theta energy: -20.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -249.638624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.638624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.638624 (E_RNA) where: Base-Base interactions energy: -152.630 where: short stacking energy: -70.880 Base-Backbone interact. energy: -0.303 local terms energy: -96.705540 where: bonds (distance) C4'-P energy: -25.585 bonds (distance) P-C4' energy: -23.014 flat angles C4'-P-C4' energy: -22.393 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -229.707102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.707102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.707102 (E_RNA) where: Base-Base interactions energy: -141.235 where: short stacking energy: -70.846 Base-Backbone interact. energy: -0.393 local terms energy: -88.078382 where: bonds (distance) C4'-P energy: -17.243 bonds (distance) P-C4' energy: -16.873 flat angles C4'-P-C4' energy: -23.934 flat angles P-C4'-P energy: -14.761 tors. eta vs tors. theta energy: -15.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -188.795966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.795966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.795966 (E_RNA) where: Base-Base interactions energy: -103.954 where: short stacking energy: -47.581 Base-Backbone interact. energy: -0.578 local terms energy: -84.264072 where: bonds (distance) C4'-P energy: -23.280 bonds (distance) P-C4' energy: -26.248 flat angles C4'-P-C4' energy: -23.074 flat angles P-C4'-P energy: -8.864 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -192.425257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.425257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.425257 (E_RNA) where: Base-Base interactions energy: -116.728 where: short stacking energy: -57.747 Base-Backbone interact. energy: 1.810 local terms energy: -77.507834 where: bonds (distance) C4'-P energy: -19.772 bonds (distance) P-C4' energy: -21.758 flat angles C4'-P-C4' energy: -18.667 flat angles P-C4'-P energy: -13.620 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -411.174829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.174829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.174829 (E_RNA) where: Base-Base interactions energy: -283.398 where: short stacking energy: -120.385 Base-Backbone interact. energy: -1.089 local terms energy: -126.688088 where: bonds (distance) C4'-P energy: -26.864 bonds (distance) P-C4' energy: -22.558 flat angles C4'-P-C4' energy: -24.067 flat angles P-C4'-P energy: -16.772 tors. eta vs tors. theta energy: -36.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -397.478168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.478168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.478168 (E_RNA) where: Base-Base interactions energy: -267.798 where: short stacking energy: -117.436 Base-Backbone interact. energy: -0.267 local terms energy: -129.413239 where: bonds (distance) C4'-P energy: -26.045 bonds (distance) P-C4' energy: -25.179 flat angles C4'-P-C4' energy: -27.179 flat angles P-C4'-P energy: -12.562 tors. eta vs tors. theta energy: -38.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -369.760953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.760953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.760953 (E_RNA) where: Base-Base interactions energy: -254.986 where: short stacking energy: -117.434 Base-Backbone interact. energy: -0.910 local terms energy: -113.864554 where: bonds (distance) C4'-P energy: -20.659 bonds (distance) P-C4' energy: -25.551 flat angles C4'-P-C4' energy: -22.530 flat angles P-C4'-P energy: -17.098 tors. eta vs tors. theta energy: -28.026 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: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -334.812869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.812869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.812869 (E_RNA) where: Base-Base interactions energy: -210.536 where: short stacking energy: -99.340 Base-Backbone interact. energy: -1.057 local terms energy: -123.219745 where: bonds (distance) C4'-P energy: -24.038 bonds (distance) P-C4' energy: -26.111 flat angles C4'-P-C4' energy: -25.923 flat angles P-C4'-P energy: -19.968 tors. eta vs tors. theta energy: -27.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -315.530498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.530498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.530498 (E_RNA) where: Base-Base interactions energy: -215.672 where: short stacking energy: -95.006 Base-Backbone interact. energy: 0.433 local terms energy: -100.292067 where: bonds (distance) C4'-P energy: -16.701 bonds (distance) P-C4' energy: -20.476 flat angles C4'-P-C4' energy: -25.764 flat angles P-C4'-P energy: -15.764 tors. eta vs tors. theta energy: -21.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -251.822279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.822279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.822279 (E_RNA) where: Base-Base interactions energy: -154.454 where: short stacking energy: -74.064 Base-Backbone interact. energy: -1.315 local terms energy: -96.053697 where: bonds (distance) C4'-P energy: -21.524 bonds (distance) P-C4' energy: -23.551 flat angles C4'-P-C4' energy: -21.193 flat angles P-C4'-P energy: -11.749 tors. eta vs tors. theta energy: -18.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -243.904940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.904940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.904940 (E_RNA) where: Base-Base interactions energy: -154.089 where: short stacking energy: -66.140 Base-Backbone interact. energy: -0.190 local terms energy: -89.626173 where: bonds (distance) C4'-P energy: -19.762 bonds (distance) P-C4' energy: -20.740 flat angles C4'-P-C4' energy: -17.072 flat angles P-C4'-P energy: -12.330 tors. eta vs tors. theta energy: -19.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -256.315618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.315618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.315618 (E_RNA) where: Base-Base interactions energy: -174.916 where: short stacking energy: -75.522 Base-Backbone interact. energy: 2.481 local terms energy: -83.880997 where: bonds (distance) C4'-P energy: -19.777 bonds (distance) P-C4' energy: -18.257 flat angles C4'-P-C4' energy: -18.584 flat angles P-C4'-P energy: -13.955 tors. eta vs tors. theta energy: -13.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -187.788741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.788741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.788741 (E_RNA) where: Base-Base interactions energy: -101.445 where: short stacking energy: -46.245 Base-Backbone interact. energy: -0.011 local terms energy: -86.332442 where: bonds (distance) C4'-P energy: -16.991 bonds (distance) P-C4' energy: -26.615 flat angles C4'-P-C4' energy: -18.318 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -13.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -176.714928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.714928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.714928 (E_RNA) where: Base-Base interactions energy: -103.969 where: short stacking energy: -50.605 Base-Backbone interact. energy: -1.268 local terms energy: -71.478621 where: bonds (distance) C4'-P energy: -17.011 bonds (distance) P-C4' energy: -21.348 flat angles C4'-P-C4' energy: -18.239 flat angles P-C4'-P energy: -14.893 tors. eta vs tors. theta energy: 0.013 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: 230 Temperature: 0.900000 Total energy: -418.121984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.121984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.121984 (E_RNA) where: Base-Base interactions energy: -287.382 where: short stacking energy: -126.806 Base-Backbone interact. energy: -2.235 local terms energy: -128.504253 where: bonds (distance) C4'-P energy: -26.009 bonds (distance) P-C4' energy: -22.141 flat angles C4'-P-C4' energy: -26.154 flat angles P-C4'-P energy: -16.051 tors. eta vs tors. theta energy: -38.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -403.593454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.593454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.593454 (E_RNA) where: Base-Base interactions energy: -279.735 where: short stacking energy: -112.470 Base-Backbone interact. energy: -0.077 local terms energy: -123.780642 where: bonds (distance) C4'-P energy: -23.238 bonds (distance) P-C4' energy: -23.481 flat angles C4'-P-C4' energy: -27.798 flat angles P-C4'-P energy: -14.106 tors. eta vs tors. theta energy: -35.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -384.177731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.177731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.177731 (E_RNA) where: Base-Base interactions energy: -260.246 where: short stacking energy: -123.679 Base-Backbone interact. energy: -0.011 local terms energy: -123.919899 where: bonds (distance) C4'-P energy: -25.399 bonds (distance) P-C4' energy: -24.107 flat angles C4'-P-C4' energy: -25.222 flat angles P-C4'-P energy: -14.545 tors. eta vs tors. theta energy: -34.647 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: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -332.947874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.947874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.947874 (E_RNA) where: Base-Base interactions energy: -225.116 where: short stacking energy: -114.130 Base-Backbone interact. energy: -0.139 local terms energy: -107.693056 where: bonds (distance) C4'-P energy: -16.722 bonds (distance) P-C4' energy: -22.793 flat angles C4'-P-C4' energy: -22.759 flat angles P-C4'-P energy: -18.104 tors. eta vs tors. theta energy: -27.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -302.942808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.942808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.942808 (E_RNA) where: Base-Base interactions energy: -200.136 where: short stacking energy: -91.219 Base-Backbone interact. energy: -2.309 local terms energy: -100.497402 where: bonds (distance) C4'-P energy: -18.877 bonds (distance) P-C4' energy: -22.373 flat angles C4'-P-C4' energy: -22.882 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -24.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -250.558024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.558024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.558024 (E_RNA) where: Base-Base interactions energy: -169.683 where: short stacking energy: -76.165 Base-Backbone interact. energy: 0.168 local terms energy: -81.043192 where: bonds (distance) C4'-P energy: -21.432 bonds (distance) P-C4' energy: -22.013 flat angles C4'-P-C4' energy: -23.096 flat angles P-C4'-P energy: -6.426 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: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -245.702478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.702478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.702478 (E_RNA) where: Base-Base interactions energy: -156.216 where: short stacking energy: -74.114 Base-Backbone interact. energy: 0.150 local terms energy: -89.636312 where: bonds (distance) C4'-P energy: -20.415 bonds (distance) P-C4' energy: -22.865 flat angles C4'-P-C4' energy: -22.456 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -16.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -244.394874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.394874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.394874 (E_RNA) where: Base-Base interactions energy: -150.731 where: short stacking energy: -78.121 Base-Backbone interact. energy: -0.990 local terms energy: -92.673208 where: bonds (distance) C4'-P energy: -19.787 bonds (distance) P-C4' energy: -23.833 flat angles C4'-P-C4' energy: -23.562 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -17.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -203.894539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.894539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.894539 (E_RNA) where: Base-Base interactions energy: -114.728 where: short stacking energy: -65.605 Base-Backbone interact. energy: 0.130 local terms energy: -89.296543 where: bonds (distance) C4'-P energy: -22.049 bonds (distance) P-C4' energy: -22.508 flat angles C4'-P-C4' energy: -15.811 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -18.850 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: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -165.285958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.285958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.285958 (E_RNA) where: Base-Base interactions energy: -91.182 where: short stacking energy: -43.732 Base-Backbone interact. energy: -1.671 local terms energy: -72.432596 where: bonds (distance) C4'-P energy: -22.639 bonds (distance) P-C4' energy: -19.963 flat angles C4'-P-C4' energy: -15.510 flat angles P-C4'-P energy: -7.346 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: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -406.228305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.228305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.228305 (E_RNA) where: Base-Base interactions energy: -275.900 where: short stacking energy: -124.486 Base-Backbone interact. energy: -0.435 local terms energy: -129.893771 where: bonds (distance) C4'-P energy: -24.762 bonds (distance) P-C4' energy: -24.919 flat angles C4'-P-C4' energy: -26.472 flat angles P-C4'-P energy: -21.026 tors. eta vs tors. theta energy: -32.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -402.804784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.804784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.804784 (E_RNA) where: Base-Base interactions energy: -284.325 where: short stacking energy: -124.165 Base-Backbone interact. energy: -0.006 local terms energy: -118.473705 where: bonds (distance) C4'-P energy: -18.555 bonds (distance) P-C4' energy: -26.237 flat angles C4'-P-C4' energy: -21.587 flat angles P-C4'-P energy: -13.822 tors. eta vs tors. theta energy: -38.272 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: 231 Temperature: 1.000000 Total energy: -403.133865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.133865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.133865 (E_RNA) where: Base-Base interactions energy: -266.866 where: short stacking energy: -123.386 Base-Backbone interact. energy: -0.002 local terms energy: -136.265519 where: bonds (distance) C4'-P energy: -22.532 bonds (distance) P-C4' energy: -25.741 flat angles C4'-P-C4' energy: -27.245 flat angles P-C4'-P energy: -22.212 tors. eta vs tors. theta energy: -38.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -353.796146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.796146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.796146 (E_RNA) where: Base-Base interactions energy: -235.302 where: short stacking energy: -110.139 Base-Backbone interact. energy: -0.054 local terms energy: -118.440800 where: bonds (distance) C4'-P energy: -19.408 bonds (distance) P-C4' energy: -24.106 flat angles C4'-P-C4' energy: -22.911 flat angles P-C4'-P energy: -15.755 tors. eta vs tors. theta energy: -36.262 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: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -300.143176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.143176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.143176 (E_RNA) where: Base-Base interactions energy: -202.690 where: short stacking energy: -90.208 Base-Backbone interact. energy: 0.763 local terms energy: -98.216291 where: bonds (distance) C4'-P energy: -18.523 bonds (distance) P-C4' energy: -19.586 flat angles C4'-P-C4' energy: -25.145 flat angles P-C4'-P energy: -13.483 tors. eta vs tors. theta energy: -21.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -244.451271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.451271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.451271 (E_RNA) where: Base-Base interactions energy: -156.779 where: short stacking energy: -78.456 Base-Backbone interact. energy: -0.227 local terms energy: -87.445630 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -22.156 flat angles C4'-P-C4' energy: -21.428 flat angles P-C4'-P energy: -14.143 tors. eta vs tors. theta energy: -15.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -252.119675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.119675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.119675 (E_RNA) where: Base-Base interactions energy: -160.397 where: short stacking energy: -77.056 Base-Backbone interact. energy: 4.025 local terms energy: -95.747440 where: bonds (distance) C4'-P energy: -26.766 bonds (distance) P-C4' energy: -21.057 flat angles C4'-P-C4' energy: -22.064 flat angles P-C4'-P energy: -11.539 tors. eta vs tors. theta energy: -14.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -236.495735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.495735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.495735 (E_RNA) where: Base-Base interactions energy: -146.354 where: short stacking energy: -61.806 Base-Backbone interact. energy: -0.310 local terms energy: -89.831568 where: bonds (distance) C4'-P energy: -25.015 bonds (distance) P-C4' energy: -22.255 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -11.662 tors. eta vs tors. theta energy: -17.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -194.883898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.883898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.883898 (E_RNA) where: Base-Base interactions energy: -110.302 where: short stacking energy: -53.975 Base-Backbone interact. energy: -0.367 local terms energy: -84.214562 where: bonds (distance) C4'-P energy: -21.677 bonds (distance) P-C4' energy: -18.230 flat angles C4'-P-C4' energy: -18.091 flat angles P-C4'-P energy: -15.942 tors. eta vs tors. theta energy: -10.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -142.450267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.450267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.450267 (E_RNA) where: Base-Base interactions energy: -75.075 where: short stacking energy: -42.539 Base-Backbone interact. energy: -0.454 local terms energy: -66.921514 where: bonds (distance) C4'-P energy: -16.850 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -22.265 flat angles P-C4'-P energy: -14.352 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: 1, replica: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -408.957924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.957924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.957924 (E_RNA) where: Base-Base interactions energy: -286.944 where: short stacking energy: -129.974 Base-Backbone interact. energy: -0.022 local terms energy: -121.991981 where: bonds (distance) C4'-P energy: -19.321 bonds (distance) P-C4' energy: -17.813 flat angles C4'-P-C4' energy: -28.163 flat angles P-C4'-P energy: -19.360 tors. eta vs tors. theta energy: -37.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -410.437045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.437045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.437045 (E_RNA) where: Base-Base interactions energy: -276.786 where: short stacking energy: -121.864 Base-Backbone interact. energy: -0.253 local terms energy: -133.398633 where: bonds (distance) C4'-P energy: -25.908 bonds (distance) P-C4' energy: -22.326 flat angles C4'-P-C4' energy: -28.469 flat angles P-C4'-P energy: -20.318 tors. eta vs tors. theta energy: -36.377 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: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -385.433514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.433514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.433514 (E_RNA) where: Base-Base interactions energy: -266.589 where: short stacking energy: -118.156 Base-Backbone interact. energy: -0.294 local terms energy: -118.550555 where: bonds (distance) C4'-P energy: -20.498 bonds (distance) P-C4' energy: -22.475 flat angles C4'-P-C4' energy: -23.556 flat angles P-C4'-P energy: -13.513 tors. eta vs tors. theta energy: -38.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -354.131951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.131951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.131951 (E_RNA) where: Base-Base interactions energy: -237.840 where: short stacking energy: -107.501 Base-Backbone interact. energy: -0.519 local terms energy: -115.772428 where: bonds (distance) C4'-P energy: -21.356 bonds (distance) P-C4' energy: -21.940 flat angles C4'-P-C4' energy: -24.744 flat angles P-C4'-P energy: -16.405 tors. eta vs tors. theta energy: -31.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -325.762508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.762508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.762508 (E_RNA) where: Base-Base interactions energy: -218.387 where: short stacking energy: -99.307 Base-Backbone interact. energy: -0.234 local terms energy: -107.141480 where: bonds (distance) C4'-P energy: -18.581 bonds (distance) P-C4' energy: -22.355 flat angles C4'-P-C4' energy: -23.822 flat angles P-C4'-P energy: -17.902 tors. eta vs tors. theta energy: -24.482 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: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -252.871877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.871877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.871877 (E_RNA) where: Base-Base interactions energy: -161.282 where: short stacking energy: -90.047 Base-Backbone interact. energy: -0.142 local terms energy: -91.447822 where: bonds (distance) C4'-P energy: -19.363 bonds (distance) P-C4' energy: -19.132 flat angles C4'-P-C4' energy: -26.801 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -16.793 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: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -246.846876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.846876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.846876 (E_RNA) where: Base-Base interactions energy: -151.673 where: short stacking energy: -83.302 Base-Backbone interact. energy: -0.428 local terms energy: -94.746115 where: bonds (distance) C4'-P energy: -22.414 bonds (distance) P-C4' energy: -22.083 flat angles C4'-P-C4' energy: -22.757 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -21.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -236.884041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.884041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.884041 (E_RNA) where: Base-Base interactions energy: -151.360 where: short stacking energy: -64.573 Base-Backbone interact. energy: -0.370 local terms energy: -85.153594 where: bonds (distance) C4'-P energy: -19.209 bonds (distance) P-C4' energy: -19.291 flat angles C4'-P-C4' energy: -27.856 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -7.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -203.041064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.041064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.041064 (E_RNA) where: Base-Base interactions energy: -110.496 where: short stacking energy: -69.229 Base-Backbone interact. energy: -0.083 local terms energy: -92.462106 where: bonds (distance) C4'-P energy: -24.245 bonds (distance) P-C4' energy: -23.800 flat angles C4'-P-C4' energy: -20.685 flat angles P-C4'-P energy: -15.573 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: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -139.746189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.746189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.746189 (E_RNA) where: Base-Base interactions energy: -69.012 where: short stacking energy: -39.755 Base-Backbone interact. energy: -0.240 local terms energy: -70.494678 where: bonds (distance) C4'-P energy: -18.295 bonds (distance) P-C4' energy: -18.884 flat angles C4'-P-C4' energy: -22.832 flat angles P-C4'-P energy: -10.283 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -403.880179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.880179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.880179 (E_RNA) where: Base-Base interactions energy: -277.296 where: short stacking energy: -115.664 Base-Backbone interact. energy: 0.205 local terms energy: -126.789235 where: bonds (distance) C4'-P energy: -23.028 bonds (distance) P-C4' energy: -23.535 flat angles C4'-P-C4' energy: -25.168 flat angles P-C4'-P energy: -20.322 tors. eta vs tors. theta energy: -34.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -393.061941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.061941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.061941 (E_RNA) where: Base-Base interactions energy: -266.408 where: short stacking energy: -114.890 Base-Backbone interact. energy: 0.236 local terms energy: -126.890365 where: bonds (distance) C4'-P energy: -27.274 bonds (distance) P-C4' energy: -23.601 flat angles C4'-P-C4' energy: -22.389 flat angles P-C4'-P energy: -18.327 tors. eta vs tors. theta energy: -35.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -396.235307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.235307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.235307 (E_RNA) where: Base-Base interactions energy: -270.457 where: short stacking energy: -108.429 Base-Backbone interact. energy: -1.452 local terms energy: -124.326708 where: bonds (distance) C4'-P energy: -27.359 bonds (distance) P-C4' energy: -24.892 flat angles C4'-P-C4' energy: -20.817 flat angles P-C4'-P energy: -18.335 tors. eta vs tors. theta energy: -32.924 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: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -318.279834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.279834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.279834 (E_RNA) where: Base-Base interactions energy: -202.169 where: short stacking energy: -105.410 Base-Backbone interact. energy: -0.513 local terms energy: -115.597950 where: bonds (distance) C4'-P energy: -19.052 bonds (distance) P-C4' energy: -25.175 flat angles C4'-P-C4' energy: -26.745 flat angles P-C4'-P energy: -16.659 tors. eta vs tors. theta energy: -27.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -340.790130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.790130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.790130 (E_RNA) where: Base-Base interactions energy: -229.502 where: short stacking energy: -110.598 Base-Backbone interact. energy: -0.274 local terms energy: -111.014008 where: bonds (distance) C4'-P energy: -16.445 bonds (distance) P-C4' energy: -24.331 flat angles C4'-P-C4' energy: -24.230 flat angles P-C4'-P energy: -18.071 tors. eta vs tors. theta energy: -27.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -268.580532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.580532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.580532 (E_RNA) where: Base-Base interactions energy: -172.484 where: short stacking energy: -88.882 Base-Backbone interact. energy: 0.277 local terms energy: -96.373232 where: bonds (distance) C4'-P energy: -19.774 bonds (distance) P-C4' energy: -18.911 flat angles C4'-P-C4' energy: -23.358 flat angles P-C4'-P energy: -11.222 tors. eta vs tors. theta energy: -23.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -257.233013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.233013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.233013 (E_RNA) where: Base-Base interactions energy: -159.983 where: short stacking energy: -74.803 Base-Backbone interact. energy: -1.079 local terms energy: -96.171137 where: bonds (distance) C4'-P energy: -21.872 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -23.670 flat angles P-C4'-P energy: -18.075 tors. eta vs tors. theta energy: -19.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -254.156955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.156955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.156955 (E_RNA) where: Base-Base interactions energy: -167.574 where: short stacking energy: -85.396 Base-Backbone interact. energy: 0.889 local terms energy: -87.472023 where: bonds (distance) C4'-P energy: -17.594 bonds (distance) P-C4' energy: -13.943 flat angles C4'-P-C4' energy: -20.481 flat angles P-C4'-P energy: -14.941 tors. eta vs tors. theta energy: -20.513 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: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -181.030510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.030510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.030510 (E_RNA) where: Base-Base interactions energy: -101.640 where: short stacking energy: -59.477 Base-Backbone interact. energy: -0.166 local terms energy: -79.224523 where: bonds (distance) C4'-P energy: -15.299 bonds (distance) P-C4' energy: -18.276 flat angles C4'-P-C4' energy: -17.554 flat angles P-C4'-P energy: -14.065 tors. eta vs tors. theta energy: -14.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -129.808897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.808897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.808897 (E_RNA) where: Base-Base interactions energy: -60.730 where: short stacking energy: -34.466 Base-Backbone interact. energy: -1.431 local terms energy: -67.647897 where: bonds (distance) C4'-P energy: -24.516 bonds (distance) P-C4' energy: -10.762 flat angles C4'-P-C4' energy: -21.451 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -407.428593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.428593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.428593 (E_RNA) where: Base-Base interactions energy: -278.465 where: short stacking energy: -117.158 Base-Backbone interact. energy: -0.322 local terms energy: -128.641792 where: bonds (distance) C4'-P energy: -25.198 bonds (distance) P-C4' energy: -25.242 flat angles C4'-P-C4' energy: -26.712 flat angles P-C4'-P energy: -18.959 tors. eta vs tors. theta energy: -32.531 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: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -404.145828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.145828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.145828 (E_RNA) where: Base-Base interactions energy: -273.947 where: short stacking energy: -121.496 Base-Backbone interact. energy: -1.320 local terms energy: -128.878842 where: bonds (distance) C4'-P energy: -24.319 bonds (distance) P-C4' energy: -18.227 flat angles C4'-P-C4' energy: -28.167 flat angles P-C4'-P energy: -20.147 tors. eta vs tors. theta energy: -38.019 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: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -389.003958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.003958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.003958 (E_RNA) where: Base-Base interactions energy: -278.365 where: short stacking energy: -119.162 Base-Backbone interact. energy: -1.861 local terms energy: -108.777256 where: bonds (distance) C4'-P energy: -17.462 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -24.717 flat angles P-C4'-P energy: -17.617 tors. eta vs tors. theta energy: -32.881 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: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -321.538532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.538532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.538532 (E_RNA) where: Base-Base interactions energy: -212.010 where: short stacking energy: -102.114 Base-Backbone interact. energy: 2.242 local terms energy: -111.770546 where: bonds (distance) C4'-P energy: -24.352 bonds (distance) P-C4' energy: -22.784 flat angles C4'-P-C4' energy: -26.160 flat angles P-C4'-P energy: -14.691 tors. eta vs tors. theta energy: -23.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -336.649899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.649899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.649899 (E_RNA) where: Base-Base interactions energy: -222.150 where: short stacking energy: -107.801 Base-Backbone interact. energy: -1.115 local terms energy: -113.385589 where: bonds (distance) C4'-P energy: -21.074 bonds (distance) P-C4' energy: -25.883 flat angles C4'-P-C4' energy: -20.878 flat angles P-C4'-P energy: -12.740 tors. eta vs tors. theta energy: -32.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -261.160512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.160512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.160512 (E_RNA) where: Base-Base interactions energy: -164.499 where: short stacking energy: -82.896 Base-Backbone interact. energy: 0.837 local terms energy: -97.498522 where: bonds (distance) C4'-P energy: -20.647 bonds (distance) P-C4' energy: -19.393 flat angles C4'-P-C4' energy: -23.466 flat angles P-C4'-P energy: -20.913 tors. eta vs tors. theta energy: -13.079 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: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -243.159904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.159904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.159904 (E_RNA) where: Base-Base interactions energy: -159.883 where: short stacking energy: -75.185 Base-Backbone interact. energy: -0.814 local terms energy: -82.463056 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -29.971 flat angles C4'-P-C4' energy: -18.054 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -16.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -250.121353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.121353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.121353 (E_RNA) where: Base-Base interactions energy: -159.899 where: short stacking energy: -77.403 Base-Backbone interact. energy: 0.400 local terms energy: -90.622047 where: bonds (distance) C4'-P energy: -17.500 bonds (distance) P-C4' energy: -22.940 flat angles C4'-P-C4' energy: -20.851 flat angles P-C4'-P energy: -13.025 tors. eta vs tors. theta energy: -16.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -192.502778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.502778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.502778 (E_RNA) where: Base-Base interactions energy: -97.230 where: short stacking energy: -55.104 Base-Backbone interact. energy: -0.695 local terms energy: -94.577707 where: bonds (distance) C4'-P energy: -22.130 bonds (distance) P-C4' energy: -21.218 flat angles C4'-P-C4' energy: -23.251 flat angles P-C4'-P energy: -16.308 tors. eta vs tors. theta energy: -11.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -152.455129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.455129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.455129 (E_RNA) where: Base-Base interactions energy: -81.894 where: short stacking energy: -31.809 Base-Backbone interact. energy: -1.343 local terms energy: -69.218437 where: bonds (distance) C4'-P energy: -19.653 bonds (distance) P-C4' energy: -16.722 flat angles C4'-P-C4' energy: -15.446 flat angles P-C4'-P energy: -12.716 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: 1, replica: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -411.538508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.538508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.538508 (E_RNA) where: Base-Base interactions energy: -297.969 where: short stacking energy: -116.668 Base-Backbone interact. energy: -0.139 local terms energy: -113.430424 where: bonds (distance) C4'-P energy: -19.209 bonds (distance) P-C4' energy: -19.943 flat angles C4'-P-C4' energy: -27.897 flat angles P-C4'-P energy: -15.615 tors. eta vs tors. theta energy: -30.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -398.744332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.744332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.744332 (E_RNA) where: Base-Base interactions energy: -271.461 where: short stacking energy: -121.530 Base-Backbone interact. energy: -1.008 local terms energy: -126.274355 where: bonds (distance) C4'-P energy: -27.986 bonds (distance) P-C4' energy: -25.309 flat angles C4'-P-C4' energy: -24.340 flat angles P-C4'-P energy: -16.053 tors. eta vs tors. theta energy: -32.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -394.141108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.141108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.141108 (E_RNA) where: Base-Base interactions energy: -267.233 where: short stacking energy: -114.888 Base-Backbone interact. energy: -0.328 local terms energy: -126.579933 where: bonds (distance) C4'-P energy: -23.206 bonds (distance) P-C4' energy: -25.873 flat angles C4'-P-C4' energy: -27.873 flat angles P-C4'-P energy: -16.666 tors. eta vs tors. theta energy: -32.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -349.759639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.759639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.759639 (E_RNA) where: Base-Base interactions energy: -229.770 where: short stacking energy: -110.765 Base-Backbone interact. energy: 0.207 local terms energy: -120.196322 where: bonds (distance) C4'-P energy: -24.874 bonds (distance) P-C4' energy: -22.310 flat angles C4'-P-C4' energy: -22.530 flat angles P-C4'-P energy: -18.719 tors. eta vs tors. theta energy: -31.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -327.682116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.682116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.682116 (E_RNA) where: Base-Base interactions energy: -217.073 where: short stacking energy: -99.058 Base-Backbone interact. energy: -0.205 local terms energy: -110.404722 where: bonds (distance) C4'-P energy: -16.666 bonds (distance) P-C4' energy: -16.403 flat angles C4'-P-C4' energy: -27.231 flat angles P-C4'-P energy: -19.803 tors. eta vs tors. theta energy: -30.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -254.267690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.267690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.267690 (E_RNA) where: Base-Base interactions energy: -154.255 where: short stacking energy: -72.092 Base-Backbone interact. energy: -0.329 local terms energy: -99.683875 where: bonds (distance) C4'-P energy: -23.787 bonds (distance) P-C4' energy: -23.959 flat angles C4'-P-C4' energy: -19.981 flat angles P-C4'-P energy: -19.843 tors. eta vs tors. theta energy: -12.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -246.324080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.324080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.324080 (E_RNA) where: Base-Base interactions energy: -148.646 where: short stacking energy: -71.016 Base-Backbone interact. energy: -0.039 local terms energy: -97.639267 where: bonds (distance) C4'-P energy: -16.809 bonds (distance) P-C4' energy: -25.274 flat angles C4'-P-C4' energy: -23.582 flat angles P-C4'-P energy: -18.526 tors. eta vs tors. theta energy: -13.448 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: 8, replica: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -216.554702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.554702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.554702 (E_RNA) where: Base-Base interactions energy: -115.065 where: short stacking energy: -71.930 Base-Backbone interact. energy: -0.431 local terms energy: -101.059080 where: bonds (distance) C4'-P energy: -22.511 bonds (distance) P-C4' energy: -25.844 flat angles C4'-P-C4' energy: -23.716 flat angles P-C4'-P energy: -13.101 tors. eta vs tors. theta energy: -15.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -222.483684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.483684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.483684 (E_RNA) where: Base-Base interactions energy: -145.058 where: short stacking energy: -66.245 Base-Backbone interact. energy: -0.602 local terms energy: -76.823933 where: bonds (distance) C4'-P energy: -22.828 bonds (distance) P-C4' energy: -14.993 flat angles C4'-P-C4' energy: -18.580 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -11.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -188.501565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.501565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.501565 (E_RNA) where: Base-Base interactions energy: -117.760 where: short stacking energy: -51.892 Base-Backbone interact. energy: -0.579 local terms energy: -70.162657 where: bonds (distance) C4'-P energy: -18.773 bonds (distance) P-C4' energy: -17.291 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -16.061 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -394.039821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.039821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.039821 (E_RNA) where: Base-Base interactions energy: -267.689 where: short stacking energy: -113.573 Base-Backbone interact. energy: -0.006 local terms energy: -126.345215 where: bonds (distance) C4'-P energy: -25.501 bonds (distance) P-C4' energy: -21.794 flat angles C4'-P-C4' energy: -27.367 flat angles P-C4'-P energy: -17.317 tors. eta vs tors. theta energy: -34.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -403.139068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.139068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.139068 (E_RNA) where: Base-Base interactions energy: -271.785 where: short stacking energy: -114.808 Base-Backbone interact. energy: -0.232 local terms energy: -131.122626 where: bonds (distance) C4'-P energy: -22.406 bonds (distance) P-C4' energy: -27.713 flat angles C4'-P-C4' energy: -24.873 flat angles P-C4'-P energy: -21.697 tors. eta vs tors. theta energy: -34.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -390.206753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.206753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.206753 (E_RNA) where: Base-Base interactions energy: -269.506 where: short stacking energy: -113.911 Base-Backbone interact. energy: -0.727 local terms energy: -119.973623 where: bonds (distance) C4'-P energy: -23.754 bonds (distance) P-C4' energy: -21.820 flat angles C4'-P-C4' energy: -25.187 flat angles P-C4'-P energy: -15.684 tors. eta vs tors. theta energy: -33.528 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: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -344.395211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.395211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.395211 (E_RNA) where: Base-Base interactions energy: -225.627 where: short stacking energy: -112.304 Base-Backbone interact. energy: -0.906 local terms energy: -117.862237 where: bonds (distance) C4'-P energy: -19.896 bonds (distance) P-C4' energy: -27.069 flat angles C4'-P-C4' energy: -24.249 flat angles P-C4'-P energy: -15.966 tors. eta vs tors. theta energy: -30.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -318.804698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.804698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.804698 (E_RNA) where: Base-Base interactions energy: -213.453 where: short stacking energy: -104.079 Base-Backbone interact. energy: 0.048 local terms energy: -105.399906 where: bonds (distance) C4'-P energy: -19.268 bonds (distance) P-C4' energy: -20.493 flat angles C4'-P-C4' energy: -23.069 flat angles P-C4'-P energy: -14.689 tors. eta vs tors. theta energy: -27.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -258.404025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.404025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.404025 (E_RNA) where: Base-Base interactions energy: -166.540 where: short stacking energy: -81.443 Base-Backbone interact. energy: -1.078 local terms energy: -90.786235 where: bonds (distance) C4'-P energy: -24.112 bonds (distance) P-C4' energy: -19.721 flat angles C4'-P-C4' energy: -22.433 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -17.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -278.343039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.343039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.343039 (E_RNA) where: Base-Base interactions energy: -185.514 where: short stacking energy: -73.100 Base-Backbone interact. energy: 1.713 local terms energy: -94.542650 where: bonds (distance) C4'-P energy: -23.203 bonds (distance) P-C4' energy: -22.981 flat angles C4'-P-C4' energy: -23.006 flat angles P-C4'-P energy: -15.156 tors. eta vs tors. theta energy: -10.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -233.713684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.713684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.713684 (E_RNA) where: Base-Base interactions energy: -141.814 where: short stacking energy: -70.832 Base-Backbone interact. energy: -0.106 local terms energy: -91.794425 where: bonds (distance) C4'-P energy: -20.531 bonds (distance) P-C4' energy: -18.817 flat angles C4'-P-C4' energy: -21.404 flat angles P-C4'-P energy: -14.518 tors. eta vs tors. theta energy: -16.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -223.350597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.350597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.350597 (E_RNA) where: Base-Base interactions energy: -146.821 where: short stacking energy: -65.851 Base-Backbone interact. energy: -0.625 local terms energy: -75.904479 where: bonds (distance) C4'-P energy: -9.442 bonds (distance) P-C4' energy: -20.537 flat angles C4'-P-C4' energy: -20.731 flat angles P-C4'-P energy: -14.733 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -228.853804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.853804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.853804 (E_RNA) where: Base-Base interactions energy: -131.317 where: short stacking energy: -53.472 Base-Backbone interact. energy: -0.449 local terms energy: -97.087807 where: bonds (distance) C4'-P energy: -24.088 bonds (distance) P-C4' energy: -22.543 flat angles C4'-P-C4' energy: -23.289 flat angles P-C4'-P energy: -11.773 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -408.486590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.486590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.486590 (E_RNA) where: Base-Base interactions energy: -292.073 where: short stacking energy: -125.786 Base-Backbone interact. energy: -0.924 local terms energy: -115.489083 where: bonds (distance) C4'-P energy: -15.157 bonds (distance) P-C4' energy: -24.192 flat angles C4'-P-C4' energy: -24.261 flat angles P-C4'-P energy: -17.906 tors. eta vs tors. theta energy: -33.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -395.945174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.945174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.945174 (E_RNA) where: Base-Base interactions energy: -286.581 where: short stacking energy: -121.952 Base-Backbone interact. energy: -1.283 local terms energy: -108.080424 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -21.738 flat angles C4'-P-C4' energy: -22.562 flat angles P-C4'-P energy: -18.514 tors. eta vs tors. theta energy: -29.990 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: 237 Temperature: 1.000000 Total energy: -384.003665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.003665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.003665 (E_RNA) where: Base-Base interactions energy: -263.953 where: short stacking energy: -117.044 Base-Backbone interact. energy: -1.140 local terms energy: -118.910138 where: bonds (distance) C4'-P energy: -23.558 bonds (distance) P-C4' energy: -21.095 flat angles C4'-P-C4' energy: -26.827 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -37.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -348.168190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.168190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.168190 (E_RNA) where: Base-Base interactions energy: -225.440 where: short stacking energy: -116.704 Base-Backbone interact. energy: 0.054 local terms energy: -122.782087 where: bonds (distance) C4'-P energy: -19.534 bonds (distance) P-C4' energy: -24.335 flat angles C4'-P-C4' energy: -24.481 flat angles P-C4'-P energy: -18.964 tors. eta vs tors. theta energy: -35.468 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: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -314.330318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.330318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.330318 (E_RNA) where: Base-Base interactions energy: -212.371 where: short stacking energy: -97.191 Base-Backbone interact. energy: -0.122 local terms energy: -101.836995 where: bonds (distance) C4'-P energy: -17.880 bonds (distance) P-C4' energy: -17.147 flat angles C4'-P-C4' energy: -26.692 flat angles P-C4'-P energy: -18.948 tors. eta vs tors. theta energy: -21.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -260.615680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.615680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.615680 (E_RNA) where: Base-Base interactions energy: -170.095 where: short stacking energy: -84.221 Base-Backbone interact. energy: 0.067 local terms energy: -90.587399 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -25.159 flat angles C4'-P-C4' energy: -19.346 flat angles P-C4'-P energy: -17.506 tors. eta vs tors. theta energy: -14.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -251.272582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.272582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.272582 (E_RNA) where: Base-Base interactions energy: -150.797 where: short stacking energy: -71.960 Base-Backbone interact. energy: -0.218 local terms energy: -100.257491 where: bonds (distance) C4'-P energy: -23.687 bonds (distance) P-C4' energy: -23.096 flat angles C4'-P-C4' energy: -22.771 flat angles P-C4'-P energy: -11.667 tors. eta vs tors. theta energy: -19.036 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: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -225.644077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.644077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.644077 (E_RNA) where: Base-Base interactions energy: -149.066 where: short stacking energy: -62.690 Base-Backbone interact. energy: -0.588 local terms energy: -75.990135 where: bonds (distance) C4'-P energy: -19.661 bonds (distance) P-C4' energy: -17.518 flat angles C4'-P-C4' energy: -20.002 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -15.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -175.987254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.987254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.987254 (E_RNA) where: Base-Base interactions energy: -101.979 where: short stacking energy: -40.343 Base-Backbone interact. energy: -0.533 local terms energy: -73.475138 where: bonds (distance) C4'-P energy: -20.220 bonds (distance) P-C4' energy: -23.316 flat angles C4'-P-C4' energy: -16.010 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -177.928896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.928896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.928896 (E_RNA) where: Base-Base interactions energy: -102.826 where: short stacking energy: -51.556 Base-Backbone interact. energy: -0.090 local terms energy: -75.012083 where: bonds (distance) C4'-P energy: -19.375 bonds (distance) P-C4' energy: -17.270 flat angles C4'-P-C4' energy: -25.208 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -402.236057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.236057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.236057 (E_RNA) where: Base-Base interactions energy: -276.140 where: short stacking energy: -113.285 Base-Backbone interact. energy: -1.001 local terms energy: -125.095671 where: bonds (distance) C4'-P energy: -25.001 bonds (distance) P-C4' energy: -23.897 flat angles C4'-P-C4' energy: -27.071 flat angles P-C4'-P energy: -15.561 tors. eta vs tors. theta energy: -33.566 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: 2, replica: 1 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -400.099873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.099873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.099873 (E_RNA) where: Base-Base interactions energy: -276.672 where: short stacking energy: -125.102 Base-Backbone interact. energy: -0.701 local terms energy: -122.726567 where: bonds (distance) C4'-P energy: -21.774 bonds (distance) P-C4' energy: -23.358 flat angles C4'-P-C4' energy: -26.616 flat angles P-C4'-P energy: -18.364 tors. eta vs tors. theta energy: -32.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -386.079551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.079551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.079551 (E_RNA) where: Base-Base interactions energy: -252.395 where: short stacking energy: -111.346 Base-Backbone interact. energy: -0.923 local terms energy: -132.761223 where: bonds (distance) C4'-P energy: -25.991 bonds (distance) P-C4' energy: -24.602 flat angles C4'-P-C4' energy: -28.690 flat angles P-C4'-P energy: -20.187 tors. eta vs tors. theta energy: -33.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -345.006808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.006808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.006808 (E_RNA) where: Base-Base interactions energy: -236.989 where: short stacking energy: -111.318 Base-Backbone interact. energy: -0.237 local terms energy: -107.780441 where: bonds (distance) C4'-P energy: -23.805 bonds (distance) P-C4' energy: -18.221 flat angles C4'-P-C4' energy: -24.980 flat angles P-C4'-P energy: -15.451 tors. eta vs tors. theta energy: -25.324 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: 5, replica: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -318.095687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.095687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.095687 (E_RNA) where: Base-Base interactions energy: -204.398 where: short stacking energy: -99.507 Base-Backbone interact. energy: -1.036 local terms energy: -112.662051 where: bonds (distance) C4'-P energy: -22.587 bonds (distance) P-C4' energy: -25.330 flat angles C4'-P-C4' energy: -28.174 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -26.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -264.808149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.808149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.808149 (E_RNA) where: Base-Base interactions energy: -155.983 where: short stacking energy: -77.813 Base-Backbone interact. energy: -0.923 local terms energy: -107.902860 where: bonds (distance) C4'-P energy: -22.433 bonds (distance) P-C4' energy: -27.001 flat angles C4'-P-C4' energy: -25.363 flat angles P-C4'-P energy: -16.759 tors. eta vs tors. theta energy: -16.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -259.192727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.192727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.192727 (E_RNA) where: Base-Base interactions energy: -151.047 where: short stacking energy: -73.515 Base-Backbone interact. energy: -0.871 local terms energy: -107.274577 where: bonds (distance) C4'-P energy: -19.576 bonds (distance) P-C4' energy: -26.131 flat angles C4'-P-C4' energy: -23.271 flat angles P-C4'-P energy: -17.288 tors. eta vs tors. theta energy: -21.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -240.598767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.598767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.598767 (E_RNA) where: Base-Base interactions energy: -158.515 where: short stacking energy: -69.564 Base-Backbone interact. energy: -1.129 local terms energy: -80.955319 where: bonds (distance) C4'-P energy: -15.731 bonds (distance) P-C4' energy: -20.431 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -17.227 tors. eta vs tors. theta energy: -14.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -187.709699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.709699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.709699 (E_RNA) where: Base-Base interactions energy: -107.345 where: short stacking energy: -57.161 Base-Backbone interact. energy: -0.122 local terms energy: -80.242795 where: bonds (distance) C4'-P energy: -21.756 bonds (distance) P-C4' energy: -24.462 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -9.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -166.644260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.644260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.644260 (E_RNA) where: Base-Base interactions energy: -85.957 where: short stacking energy: -47.830 Base-Backbone interact. energy: -0.517 local terms energy: -80.170925 where: bonds (distance) C4'-P energy: -19.508 bonds (distance) P-C4' energy: -23.442 flat angles C4'-P-C4' energy: -16.574 flat angles P-C4'-P energy: -10.916 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: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -415.297055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.297055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.297055 (E_RNA) where: Base-Base interactions energy: -292.728 where: short stacking energy: -131.276 Base-Backbone interact. energy: -1.342 local terms energy: -121.227151 where: bonds (distance) C4'-P energy: -19.122 bonds (distance) P-C4' energy: -26.011 flat angles C4'-P-C4' energy: -26.630 flat angles P-C4'-P energy: -13.212 tors. eta vs tors. theta energy: -36.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -396.154675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.154675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.154675 (E_RNA) where: Base-Base interactions energy: -272.912 where: short stacking energy: -121.537 Base-Backbone interact. energy: -0.068 local terms energy: -123.174507 where: bonds (distance) C4'-P energy: -22.986 bonds (distance) P-C4' energy: -21.685 flat angles C4'-P-C4' energy: -26.606 flat angles P-C4'-P energy: -15.195 tors. eta vs tors. theta energy: -36.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -401.067820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.067820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.067820 (E_RNA) where: Base-Base interactions energy: -286.970 where: short stacking energy: -112.332 Base-Backbone interact. energy: 0.555 local terms energy: -114.652883 where: bonds (distance) C4'-P energy: -24.666 bonds (distance) P-C4' energy: -21.573 flat angles C4'-P-C4' energy: -23.399 flat angles P-C4'-P energy: -16.262 tors. eta vs tors. theta energy: -28.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -356.026998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.026998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.026998 (E_RNA) where: Base-Base interactions energy: -231.097 where: short stacking energy: -110.704 Base-Backbone interact. energy: -0.294 local terms energy: -124.636679 where: bonds (distance) C4'-P energy: -26.083 bonds (distance) P-C4' energy: -22.830 flat angles C4'-P-C4' energy: -24.044 flat angles P-C4'-P energy: -20.923 tors. eta vs tors. theta energy: -30.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -322.618835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.618835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.618835 (E_RNA) where: Base-Base interactions energy: -208.657 where: short stacking energy: -97.641 Base-Backbone interact. energy: -0.417 local terms energy: -113.544741 where: bonds (distance) C4'-P energy: -25.271 bonds (distance) P-C4' energy: -20.721 flat angles C4'-P-C4' energy: -21.912 flat angles P-C4'-P energy: -20.511 tors. eta vs tors. theta energy: -25.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -261.890838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.890838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.890838 (E_RNA) where: Base-Base interactions energy: -157.857 where: short stacking energy: -73.198 Base-Backbone interact. energy: -1.833 local terms energy: -102.201661 where: bonds (distance) C4'-P energy: -18.678 bonds (distance) P-C4' energy: -26.369 flat angles C4'-P-C4' energy: -22.881 flat angles P-C4'-P energy: -20.962 tors. eta vs tors. theta energy: -13.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -254.078742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.078742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.078742 (E_RNA) where: Base-Base interactions energy: -159.595 where: short stacking energy: -78.704 Base-Backbone interact. energy: -0.050 local terms energy: -94.433899 where: bonds (distance) C4'-P energy: -19.347 bonds (distance) P-C4' energy: -23.700 flat angles C4'-P-C4' energy: -20.751 flat angles P-C4'-P energy: -12.733 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -192.070031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.070031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.070031 (E_RNA) where: Base-Base interactions energy: -109.998 where: short stacking energy: -52.929 Base-Backbone interact. energy: -0.231 local terms energy: -81.840929 where: bonds (distance) C4'-P energy: -21.981 bonds (distance) P-C4' energy: -22.653 flat angles C4'-P-C4' energy: -19.140 flat angles P-C4'-P energy: -16.970 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -232.479357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.479357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.479357 (E_RNA) where: Base-Base interactions energy: -152.600 where: short stacking energy: -72.072 Base-Backbone interact. energy: 0.900 local terms energy: -80.779936 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -21.315 flat angles P-C4'-P energy: -14.053 tors. eta vs tors. theta energy: -16.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -162.270398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.270398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.270398 (E_RNA) where: Base-Base interactions energy: -84.335 where: short stacking energy: -39.850 Base-Backbone interact. energy: -0.443 local terms energy: -77.492863 where: bonds (distance) C4'-P energy: -16.486 bonds (distance) P-C4' energy: -20.914 flat angles C4'-P-C4' energy: -20.922 flat angles P-C4'-P energy: -14.863 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: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -411.429673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.429673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.429673 (E_RNA) where: Base-Base interactions energy: -284.818 where: short stacking energy: -120.850 Base-Backbone interact. energy: -1.612 local terms energy: -125.000495 where: bonds (distance) C4'-P energy: -26.207 bonds (distance) P-C4' energy: -23.786 flat angles C4'-P-C4' energy: -21.229 flat angles P-C4'-P energy: -18.833 tors. eta vs tors. theta energy: -34.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -412.546433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.546433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.546433 (E_RNA) where: Base-Base interactions energy: -290.499 where: short stacking energy: -121.528 Base-Backbone interact. energy: -2.011 local terms energy: -120.035556 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -27.533 flat angles C4'-P-C4' energy: -24.574 flat angles P-C4'-P energy: -21.158 tors. eta vs tors. theta energy: -32.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -408.828301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.828301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.828301 (E_RNA) where: Base-Base interactions energy: -274.270 where: short stacking energy: -118.873 Base-Backbone interact. energy: -2.265 local terms energy: -132.293429 where: bonds (distance) C4'-P energy: -24.067 bonds (distance) P-C4' energy: -24.059 flat angles C4'-P-C4' energy: -27.734 flat angles P-C4'-P energy: -19.830 tors. eta vs tors. theta energy: -36.604 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: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -360.795981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.795981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.795981 (E_RNA) where: Base-Base interactions energy: -231.494 where: short stacking energy: -118.694 Base-Backbone interact. energy: -0.264 local terms energy: -129.038391 where: bonds (distance) C4'-P energy: -23.738 bonds (distance) P-C4' energy: -25.874 flat angles C4'-P-C4' energy: -26.562 flat angles P-C4'-P energy: -15.865 tors. eta vs tors. theta energy: -37.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -265.136558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.136558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.136558 (E_RNA) where: Base-Base interactions energy: -175.643 where: short stacking energy: -74.831 Base-Backbone interact. energy: -0.676 local terms energy: -88.817517 where: bonds (distance) C4'-P energy: -15.824 bonds (distance) P-C4' energy: -20.155 flat angles C4'-P-C4' energy: -22.701 flat angles P-C4'-P energy: -9.348 tors. eta vs tors. theta energy: -20.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -308.025898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.025898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.025898 (E_RNA) where: Base-Base interactions energy: -195.808 where: short stacking energy: -97.064 Base-Backbone interact. energy: -1.166 local terms energy: -111.052162 where: bonds (distance) C4'-P energy: -20.171 bonds (distance) P-C4' energy: -25.744 flat angles C4'-P-C4' energy: -23.586 flat angles P-C4'-P energy: -15.453 tors. eta vs tors. theta energy: -26.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -262.400587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.400587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.400587 (E_RNA) where: Base-Base interactions energy: -175.530 where: short stacking energy: -75.414 Base-Backbone interact. energy: -0.759 local terms energy: -86.111415 where: bonds (distance) C4'-P energy: -25.636 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -27.513 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -13.526 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: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -202.821020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.821020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.821020 (E_RNA) where: Base-Base interactions energy: -103.746 where: short stacking energy: -56.500 Base-Backbone interact. energy: -0.267 local terms energy: -98.808610 where: bonds (distance) C4'-P energy: -25.748 bonds (distance) P-C4' energy: -24.469 flat angles C4'-P-C4' energy: -20.557 flat angles P-C4'-P energy: -16.234 tors. eta vs tors. theta energy: -11.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -245.000007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.000007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.000007 (E_RNA) where: Base-Base interactions energy: -150.502 where: short stacking energy: -75.577 Base-Backbone interact. energy: -0.011 local terms energy: -94.486643 where: bonds (distance) C4'-P energy: -21.260 bonds (distance) P-C4' energy: -17.319 flat angles C4'-P-C4' energy: -25.827 flat angles P-C4'-P energy: -12.430 tors. eta vs tors. theta energy: -17.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -181.302063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.302063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.302063 (E_RNA) where: Base-Base interactions energy: -102.058 where: short stacking energy: -46.074 Base-Backbone interact. energy: -0.530 local terms energy: -78.714711 where: bonds (distance) C4'-P energy: -16.211 bonds (distance) P-C4' energy: -24.652 flat angles C4'-P-C4' energy: -23.358 flat angles P-C4'-P energy: -10.858 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: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -411.094731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.094731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.094731 (E_RNA) where: Base-Base interactions energy: -284.427 where: short stacking energy: -120.972 Base-Backbone interact. energy: -2.404 local terms energy: -124.263448 where: bonds (distance) C4'-P energy: -25.389 bonds (distance) P-C4' energy: -25.815 flat angles C4'-P-C4' energy: -23.250 flat angles P-C4'-P energy: -18.073 tors. eta vs tors. theta energy: -31.735 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: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -404.282795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.282795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.282795 (E_RNA) where: Base-Base interactions energy: -277.826 where: short stacking energy: -121.369 Base-Backbone interact. energy: -0.962 local terms energy: -125.495676 where: bonds (distance) C4'-P energy: -27.775 bonds (distance) P-C4' energy: -22.419 flat angles C4'-P-C4' energy: -21.730 flat angles P-C4'-P energy: -21.092 tors. eta vs tors. theta energy: -32.480 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: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -399.912177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.912177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.912177 (E_RNA) where: Base-Base interactions energy: -280.198 where: short stacking energy: -113.614 Base-Backbone interact. energy: -0.004 local terms energy: -119.709423 where: bonds (distance) C4'-P energy: -23.628 bonds (distance) P-C4' energy: -15.906 flat angles C4'-P-C4' energy: -27.445 flat angles P-C4'-P energy: -17.655 tors. eta vs tors. theta energy: -35.075 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: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -341.328124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.328124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.328124 (E_RNA) where: Base-Base interactions energy: -214.499 where: short stacking energy: -105.374 Base-Backbone interact. energy: -0.045 local terms energy: -126.784069 where: bonds (distance) C4'-P energy: -25.262 bonds (distance) P-C4' energy: -27.704 flat angles C4'-P-C4' energy: -27.460 flat angles P-C4'-P energy: -17.134 tors. eta vs tors. theta energy: -29.224 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: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -253.647868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.647868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.647868 (E_RNA) where: Base-Base interactions energy: -163.195 where: short stacking energy: -74.809 Base-Backbone interact. energy: -0.359 local terms energy: -90.093716 where: bonds (distance) C4'-P energy: -16.842 bonds (distance) P-C4' energy: -22.251 flat angles C4'-P-C4' energy: -21.781 flat angles P-C4'-P energy: -16.604 tors. eta vs tors. theta energy: -12.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -298.437789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.437789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.437789 (E_RNA) where: Base-Base interactions energy: -189.172 where: short stacking energy: -81.259 Base-Backbone interact. energy: -0.307 local terms energy: -108.958219 where: bonds (distance) C4'-P energy: -23.636 bonds (distance) P-C4' energy: -25.489 flat angles C4'-P-C4' energy: -23.548 flat angles P-C4'-P energy: -14.333 tors. eta vs tors. theta energy: -21.953 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: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -246.425913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.425913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.425913 (E_RNA) where: Base-Base interactions energy: -147.691 where: short stacking energy: -65.989 Base-Backbone interact. energy: 0.219 local terms energy: -98.954586 where: bonds (distance) C4'-P energy: -20.944 bonds (distance) P-C4' energy: -26.188 flat angles C4'-P-C4' energy: -25.069 flat angles P-C4'-P energy: -14.745 tors. eta vs tors. theta energy: -12.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -254.696475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.696475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.696475 (E_RNA) where: Base-Base interactions energy: -165.149 where: short stacking energy: -79.106 Base-Backbone interact. energy: 0.188 local terms energy: -89.734898 where: bonds (distance) C4'-P energy: -17.440 bonds (distance) P-C4' energy: -24.069 flat angles C4'-P-C4' energy: -19.006 flat angles P-C4'-P energy: -11.310 tors. eta vs tors. theta energy: -17.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -189.065929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.065929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.065929 (E_RNA) where: Base-Base interactions energy: -96.502 where: short stacking energy: -50.960 Base-Backbone interact. energy: 0.389 local terms energy: -92.953194 where: bonds (distance) C4'-P energy: -24.463 bonds (distance) P-C4' energy: -19.139 flat angles C4'-P-C4' energy: -20.310 flat angles P-C4'-P energy: -16.683 tors. eta vs tors. theta energy: -12.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -179.189392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.189392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.189392 (E_RNA) where: Base-Base interactions energy: -112.655 where: short stacking energy: -54.453 Base-Backbone interact. energy: -0.403 local terms energy: -66.131612 where: bonds (distance) C4'-P energy: -19.169 bonds (distance) P-C4' energy: -17.751 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -8.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -408.860688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.860688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.860688 (E_RNA) where: Base-Base interactions energy: -284.987 where: short stacking energy: -117.143 Base-Backbone interact. energy: -1.768 local terms energy: -122.105257 where: bonds (distance) C4'-P energy: -25.163 bonds (distance) P-C4' energy: -23.939 flat angles C4'-P-C4' energy: -27.612 flat angles P-C4'-P energy: -14.295 tors. eta vs tors. theta energy: -31.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -392.224981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.224981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.224981 (E_RNA) where: Base-Base interactions energy: -268.980 where: short stacking energy: -109.853 Base-Backbone interact. energy: -0.714 local terms energy: -122.531005 where: bonds (distance) C4'-P energy: -23.279 bonds (distance) P-C4' energy: -27.367 flat angles C4'-P-C4' energy: -23.919 flat angles P-C4'-P energy: -19.713 tors. eta vs tors. theta energy: -28.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -359.632068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.632068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.632068 (E_RNA) where: Base-Base interactions energy: -244.125 where: short stacking energy: -104.148 Base-Backbone interact. energy: -0.714 local terms energy: -114.793176 where: bonds (distance) C4'-P energy: -20.791 bonds (distance) P-C4' energy: -22.817 flat angles C4'-P-C4' energy: -25.025 flat angles P-C4'-P energy: -19.173 tors. eta vs tors. theta energy: -26.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -350.087116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.087116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.087116 (E_RNA) where: Base-Base interactions energy: -225.761 where: short stacking energy: -107.017 Base-Backbone interact. energy: -0.016 local terms energy: -124.309954 where: bonds (distance) C4'-P energy: -21.110 bonds (distance) P-C4' energy: -22.442 flat angles C4'-P-C4' energy: -27.946 flat angles P-C4'-P energy: -19.468 tors. eta vs tors. theta energy: -33.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -321.337019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.337019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.337019 (E_RNA) where: Base-Base interactions energy: -206.100 where: short stacking energy: -100.896 Base-Backbone interact. energy: -0.109 local terms energy: -115.128158 where: bonds (distance) C4'-P energy: -25.195 bonds (distance) P-C4' energy: -20.272 flat angles C4'-P-C4' energy: -24.337 flat angles P-C4'-P energy: -18.092 tors. eta vs tors. theta energy: -27.231 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: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -247.474175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.474175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.474175 (E_RNA) where: Base-Base interactions energy: -153.669 where: short stacking energy: -68.198 Base-Backbone interact. energy: -0.165 local terms energy: -93.639701 where: bonds (distance) C4'-P energy: -21.657 bonds (distance) P-C4' energy: -20.918 flat angles C4'-P-C4' energy: -21.702 flat angles P-C4'-P energy: -17.876 tors. eta vs tors. theta energy: -11.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -325.019151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.019151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.019151 (E_RNA) where: Base-Base interactions energy: -214.639 where: short stacking energy: -91.538 Base-Backbone interact. energy: -0.278 local terms energy: -110.101780 where: bonds (distance) C4'-P energy: -26.315 bonds (distance) P-C4' energy: -20.524 flat angles C4'-P-C4' energy: -25.177 flat angles P-C4'-P energy: -11.393 tors. eta vs tors. theta energy: -26.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -238.568662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.568662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.568662 (E_RNA) where: Base-Base interactions energy: -155.206 where: short stacking energy: -70.127 Base-Backbone interact. energy: -0.293 local terms energy: -83.069690 where: bonds (distance) C4'-P energy: -15.719 bonds (distance) P-C4' energy: -20.866 flat angles C4'-P-C4' energy: -16.998 flat angles P-C4'-P energy: -20.222 tors. eta vs tors. theta energy: -9.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -190.983188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.983188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.983188 (E_RNA) where: Base-Base interactions energy: -102.539 where: short stacking energy: -52.024 Base-Backbone interact. energy: 0.341 local terms energy: -88.785584 where: bonds (distance) C4'-P energy: -26.111 bonds (distance) P-C4' energy: -26.229 flat angles C4'-P-C4' energy: -18.795 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -7.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -162.909017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.909017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.909017 (E_RNA) where: Base-Base interactions energy: -78.659 where: short stacking energy: -39.033 Base-Backbone interact. energy: 1.926 local terms energy: -86.176490 where: bonds (distance) C4'-P energy: -17.806 bonds (distance) P-C4' energy: -25.917 flat angles C4'-P-C4' energy: -26.282 flat angles P-C4'-P energy: -11.800 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: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -409.973595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.973595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.973595 (E_RNA) where: Base-Base interactions energy: -284.283 where: short stacking energy: -126.489 Base-Backbone interact. energy: -0.169 local terms energy: -125.521672 where: bonds (distance) C4'-P energy: -25.276 bonds (distance) P-C4' energy: -22.228 flat angles C4'-P-C4' energy: -27.310 flat angles P-C4'-P energy: -20.625 tors. eta vs tors. theta energy: -30.084 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: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -405.325171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.325171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.325171 (E_RNA) where: Base-Base interactions energy: -280.797 where: short stacking energy: -108.303 Base-Backbone interact. energy: -0.073 local terms energy: -124.455192 where: bonds (distance) C4'-P energy: -23.011 bonds (distance) P-C4' energy: -23.050 flat angles C4'-P-C4' energy: -25.834 flat angles P-C4'-P energy: -18.056 tors. eta vs tors. theta energy: -34.504 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: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -359.029902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.029902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.029902 (E_RNA) where: Base-Base interactions energy: -246.239 where: short stacking energy: -107.515 Base-Backbone interact. energy: -0.219 local terms energy: -112.572374 where: bonds (distance) C4'-P energy: -21.510 bonds (distance) P-C4' energy: -24.616 flat angles C4'-P-C4' energy: -21.143 flat angles P-C4'-P energy: -17.181 tors. eta vs tors. theta energy: -28.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -345.296580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.296580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.296580 (E_RNA) where: Base-Base interactions energy: -227.354 where: short stacking energy: -120.623 Base-Backbone interact. energy: -0.329 local terms energy: -117.614061 where: bonds (distance) C4'-P energy: -21.196 bonds (distance) P-C4' energy: -24.824 flat angles C4'-P-C4' energy: -24.798 flat angles P-C4'-P energy: -12.810 tors. eta vs tors. theta energy: -33.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -327.089237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.089237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.089237 (E_RNA) where: Base-Base interactions energy: -222.192 where: short stacking energy: -106.074 Base-Backbone interact. energy: -0.170 local terms energy: -104.727031 where: bonds (distance) C4'-P energy: -26.192 bonds (distance) P-C4' energy: -18.421 flat angles C4'-P-C4' energy: -19.834 flat angles P-C4'-P energy: -13.919 tors. eta vs tors. theta energy: -26.362 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: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -347.540624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.540624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.540624 (E_RNA) where: Base-Base interactions energy: -227.498 where: short stacking energy: -97.208 Base-Backbone interact. energy: -1.352 local terms energy: -118.690839 where: bonds (distance) C4'-P energy: -17.972 bonds (distance) P-C4' energy: -22.751 flat angles C4'-P-C4' energy: -26.682 flat angles P-C4'-P energy: -22.219 tors. eta vs tors. theta energy: -29.067 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: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -239.852619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.852619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.852619 (E_RNA) where: Base-Base interactions energy: -139.843 where: short stacking energy: -69.619 Base-Backbone interact. energy: -0.067 local terms energy: -99.942106 where: bonds (distance) C4'-P energy: -19.073 bonds (distance) P-C4' energy: -21.958 flat angles C4'-P-C4' energy: -23.989 flat angles P-C4'-P energy: -16.608 tors. eta vs tors. theta energy: -18.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -252.056164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.056164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.056164 (E_RNA) where: Base-Base interactions energy: -171.117 where: short stacking energy: -74.884 Base-Backbone interact. energy: -0.124 local terms energy: -80.815793 where: bonds (distance) C4'-P energy: -17.697 bonds (distance) P-C4' energy: -23.543 flat angles C4'-P-C4' energy: -17.305 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -14.618 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: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -193.573765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.573765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.573765 (E_RNA) where: Base-Base interactions energy: -107.941 where: short stacking energy: -63.706 Base-Backbone interact. energy: -0.237 local terms energy: -85.395466 where: bonds (distance) C4'-P energy: -24.091 bonds (distance) P-C4' energy: -23.268 flat angles C4'-P-C4' energy: -20.056 flat angles P-C4'-P energy: -12.484 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -127.163453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.163453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.163453 (E_RNA) where: Base-Base interactions energy: -50.441 where: short stacking energy: -27.471 Base-Backbone interact. energy: -0.730 local terms energy: -75.991953 where: bonds (distance) C4'-P energy: -21.541 bonds (distance) P-C4' energy: -22.470 flat angles C4'-P-C4' energy: -18.547 flat angles P-C4'-P energy: -15.377 tors. eta vs tors. theta energy: 1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -394.043969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.043969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.043969 (E_RNA) where: Base-Base interactions energy: -271.858 where: short stacking energy: -120.361 Base-Backbone interact. energy: -2.126 local terms energy: -120.059741 where: bonds (distance) C4'-P energy: -22.911 bonds (distance) P-C4' energy: -17.358 flat angles C4'-P-C4' energy: -26.937 flat angles P-C4'-P energy: -16.638 tors. eta vs tors. theta energy: -36.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -398.393043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.393043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.393043 (E_RNA) where: Base-Base interactions energy: -288.181 where: short stacking energy: -119.249 Base-Backbone interact. energy: -0.144 local terms energy: -110.068232 where: bonds (distance) C4'-P energy: -15.836 bonds (distance) P-C4' energy: -20.754 flat angles C4'-P-C4' energy: -23.772 flat angles P-C4'-P energy: -20.402 tors. eta vs tors. theta energy: -29.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -379.513987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.513987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.513987 (E_RNA) where: Base-Base interactions energy: -264.854 where: short stacking energy: -107.766 Base-Backbone interact. energy: -0.367 local terms energy: -114.292935 where: bonds (distance) C4'-P energy: -22.777 bonds (distance) P-C4' energy: -28.121 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -15.959 tors. eta vs tors. theta energy: -32.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -351.757244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.757244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.757244 (E_RNA) where: Base-Base interactions energy: -232.017 where: short stacking energy: -111.529 Base-Backbone interact. energy: -1.408 local terms energy: -118.331419 where: bonds (distance) C4'-P energy: -23.456 bonds (distance) P-C4' energy: -23.320 flat angles C4'-P-C4' energy: -23.832 flat angles P-C4'-P energy: -15.025 tors. eta vs tors. theta energy: -32.697 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: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -325.199534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.199534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.199534 (E_RNA) where: Base-Base interactions energy: -214.905 where: short stacking energy: -105.940 Base-Backbone interact. energy: 0.251 local terms energy: -110.545625 where: bonds (distance) C4'-P energy: -20.312 bonds (distance) P-C4' energy: -19.496 flat angles C4'-P-C4' energy: -27.188 flat angles P-C4'-P energy: -15.957 tors. eta vs tors. theta energy: -27.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -329.457516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.457516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.457516 (E_RNA) where: Base-Base interactions energy: -220.010 where: short stacking energy: -101.754 Base-Backbone interact. energy: -0.466 local terms energy: -108.981289 where: bonds (distance) C4'-P energy: -20.374 bonds (distance) P-C4' energy: -20.800 flat angles C4'-P-C4' energy: -21.980 flat angles P-C4'-P energy: -18.963 tors. eta vs tors. theta energy: -26.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -260.127482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.127482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.127482 (E_RNA) where: Base-Base interactions energy: -156.800 where: short stacking energy: -74.755 Base-Backbone interact. energy: -0.932 local terms energy: -102.395725 where: bonds (distance) C4'-P energy: -20.296 bonds (distance) P-C4' energy: -26.100 flat angles C4'-P-C4' energy: -23.906 flat angles P-C4'-P energy: -12.816 tors. eta vs tors. theta energy: -19.278 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: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -227.244689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.244689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.244689 (E_RNA) where: Base-Base interactions energy: -144.515 where: short stacking energy: -58.692 Base-Backbone interact. energy: 2.972 local terms energy: -85.701406 where: bonds (distance) C4'-P energy: -19.348 bonds (distance) P-C4' energy: -24.165 flat angles C4'-P-C4' energy: -22.510 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -10.269 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: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -201.231723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.231723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.231723 (E_RNA) where: Base-Base interactions energy: -127.395 where: short stacking energy: -45.051 Base-Backbone interact. energy: -1.224 local terms energy: -72.611898 where: bonds (distance) C4'-P energy: -23.934 bonds (distance) P-C4' energy: -18.874 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -11.775 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: 10, replica: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -135.217157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.217157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.217157 (E_RNA) where: Base-Base interactions energy: -58.416 where: short stacking energy: -46.106 Base-Backbone interact. energy: 0.225 local terms energy: -77.026107 where: bonds (distance) C4'-P energy: -16.552 bonds (distance) P-C4' energy: -24.867 flat angles C4'-P-C4' energy: -16.484 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -8.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -409.760495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.760495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.760495 (E_RNA) where: Base-Base interactions energy: -275.392 where: short stacking energy: -119.664 Base-Backbone interact. energy: -1.461 local terms energy: -132.906711 where: bonds (distance) C4'-P energy: -25.717 bonds (distance) P-C4' energy: -21.494 flat angles C4'-P-C4' energy: -27.735 flat angles P-C4'-P energy: -19.495 tors. eta vs tors. theta energy: -38.465 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: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -406.649885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.649885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.649885 (E_RNA) where: Base-Base interactions energy: -284.976 where: short stacking energy: -117.505 Base-Backbone interact. energy: -0.107 local terms energy: -121.566910 where: bonds (distance) C4'-P energy: -22.745 bonds (distance) P-C4' energy: -20.800 flat angles C4'-P-C4' energy: -27.346 flat angles P-C4'-P energy: -15.239 tors. eta vs tors. theta energy: -35.438 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: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -379.806954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.806954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.806954 (E_RNA) where: Base-Base interactions energy: -261.039 where: short stacking energy: -112.322 Base-Backbone interact. energy: -0.146 local terms energy: -118.621818 where: bonds (distance) C4'-P energy: -23.260 bonds (distance) P-C4' energy: -24.393 flat angles C4'-P-C4' energy: -23.872 flat angles P-C4'-P energy: -13.317 tors. eta vs tors. theta energy: -33.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -349.871159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.871159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.871159 (E_RNA) where: Base-Base interactions energy: -237.338 where: short stacking energy: -110.746 Base-Backbone interact. energy: -0.321 local terms energy: -112.211713 where: bonds (distance) C4'-P energy: -23.578 bonds (distance) P-C4' energy: -21.846 flat angles C4'-P-C4' energy: -22.806 flat angles P-C4'-P energy: -14.964 tors. eta vs tors. theta energy: -29.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -321.256579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.256579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.256579 (E_RNA) where: Base-Base interactions energy: -210.924 where: short stacking energy: -94.210 Base-Backbone interact. energy: -0.161 local terms energy: -110.171495 where: bonds (distance) C4'-P energy: -23.416 bonds (distance) P-C4' energy: -23.526 flat angles C4'-P-C4' energy: -24.441 flat angles P-C4'-P energy: -12.680 tors. eta vs tors. theta energy: -26.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -318.635596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.635596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.635596 (E_RNA) where: Base-Base interactions energy: -222.628 where: short stacking energy: -91.156 Base-Backbone interact. energy: -0.275 local terms energy: -95.732620 where: bonds (distance) C4'-P energy: -18.219 bonds (distance) P-C4' energy: -17.114 flat angles C4'-P-C4' energy: -21.360 flat angles P-C4'-P energy: -14.346 tors. eta vs tors. theta energy: -24.693 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: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -249.766894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.766894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.766894 (E_RNA) where: Base-Base interactions energy: -155.140 where: short stacking energy: -70.586 Base-Backbone interact. energy: -0.163 local terms energy: -94.464193 where: bonds (distance) C4'-P energy: -20.447 bonds (distance) P-C4' energy: -23.940 flat angles C4'-P-C4' energy: -22.264 flat angles P-C4'-P energy: -11.299 tors. eta vs tors. theta energy: -16.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -208.018703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.018703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.018703 (E_RNA) where: Base-Base interactions energy: -120.493 where: short stacking energy: -69.676 Base-Backbone interact. energy: -0.211 local terms energy: -87.313754 where: bonds (distance) C4'-P energy: -17.851 bonds (distance) P-C4' energy: -21.524 flat angles C4'-P-C4' energy: -18.537 flat angles P-C4'-P energy: -12.566 tors. eta vs tors. theta energy: -16.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -226.208683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.208683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.208683 (E_RNA) where: Base-Base interactions energy: -151.356 where: short stacking energy: -71.712 Base-Backbone interact. energy: -0.205 local terms energy: -74.648046 where: bonds (distance) C4'-P energy: -13.274 bonds (distance) P-C4' energy: -20.393 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -12.265 tors. eta vs tors. theta energy: -13.503 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: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -124.917312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.917312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.917312 (E_RNA) where: Base-Base interactions energy: -56.757 where: short stacking energy: -43.779 Base-Backbone interact. energy: -0.383 local terms energy: -67.777714 where: bonds (distance) C4'-P energy: -21.527 bonds (distance) P-C4' energy: -15.685 flat angles C4'-P-C4' energy: -18.477 flat angles P-C4'-P energy: -14.274 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: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -407.799511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.799511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.799511 (E_RNA) where: Base-Base interactions energy: -282.519 where: short stacking energy: -125.315 Base-Backbone interact. energy: -0.639 local terms energy: -124.641618 where: bonds (distance) C4'-P energy: -21.090 bonds (distance) P-C4' energy: -22.267 flat angles C4'-P-C4' energy: -25.137 flat angles P-C4'-P energy: -19.122 tors. eta vs tors. theta energy: -37.026 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: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -410.759542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.759542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.759542 (E_RNA) where: Base-Base interactions energy: -288.074 where: short stacking energy: -116.523 Base-Backbone interact. energy: -0.110 local terms energy: -122.575781 where: bonds (distance) C4'-P energy: -24.504 bonds (distance) P-C4' energy: -23.995 flat angles C4'-P-C4' energy: -23.680 flat angles P-C4'-P energy: -16.459 tors. eta vs tors. theta energy: -33.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -382.593448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.593448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.593448 (E_RNA) where: Base-Base interactions energy: -261.702 where: short stacking energy: -111.859 Base-Backbone interact. energy: -0.018 local terms energy: -120.873462 where: bonds (distance) C4'-P energy: -23.117 bonds (distance) P-C4' energy: -25.952 flat angles C4'-P-C4' energy: -23.809 flat angles P-C4'-P energy: -14.821 tors. eta vs tors. theta energy: -33.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -348.458588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.458588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.458588 (E_RNA) where: Base-Base interactions energy: -223.014 where: short stacking energy: -113.980 Base-Backbone interact. energy: -1.164 local terms energy: -124.281194 where: bonds (distance) C4'-P energy: -18.606 bonds (distance) P-C4' energy: -27.806 flat angles C4'-P-C4' energy: -22.545 flat angles P-C4'-P energy: -18.592 tors. eta vs tors. theta energy: -36.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -342.320284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.320284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.320284 (E_RNA) where: Base-Base interactions energy: -235.382 where: short stacking energy: -87.027 Base-Backbone interact. energy: -0.510 local terms energy: -106.428710 where: bonds (distance) C4'-P energy: -22.927 bonds (distance) P-C4' energy: -27.557 flat angles C4'-P-C4' energy: -19.135 flat angles P-C4'-P energy: -11.843 tors. eta vs tors. theta energy: -24.966 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: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -300.238024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.238024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.238024 (E_RNA) where: Base-Base interactions energy: -202.399 where: short stacking energy: -97.572 Base-Backbone interact. energy: 2.460 local terms energy: -100.299076 where: bonds (distance) C4'-P energy: -23.449 bonds (distance) P-C4' energy: -15.747 flat angles C4'-P-C4' energy: -25.616 flat angles P-C4'-P energy: -12.645 tors. eta vs tors. theta energy: -22.842 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: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -235.510071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.510071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.510071 (E_RNA) where: Base-Base interactions energy: -148.436 where: short stacking energy: -54.328 Base-Backbone interact. energy: -0.239 local terms energy: -86.835314 where: bonds (distance) C4'-P energy: -25.688 bonds (distance) P-C4' energy: -16.953 flat angles C4'-P-C4' energy: -20.772 flat angles P-C4'-P energy: -12.750 tors. eta vs tors. theta energy: -10.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -190.640046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.640046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.640046 (E_RNA) where: Base-Base interactions energy: -107.549 where: short stacking energy: -62.938 Base-Backbone interact. energy: -0.970 local terms energy: -82.120207 where: bonds (distance) C4'-P energy: -22.153 bonds (distance) P-C4' energy: -18.565 flat angles C4'-P-C4' energy: -23.547 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -6.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -225.876676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.876676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.876676 (E_RNA) where: Base-Base interactions energy: -142.819 where: short stacking energy: -61.031 Base-Backbone interact. energy: -1.442 local terms energy: -81.616386 where: bonds (distance) C4'-P energy: -21.118 bonds (distance) P-C4' energy: -16.476 flat angles C4'-P-C4' energy: -18.352 flat angles P-C4'-P energy: -17.431 tors. eta vs tors. theta energy: -8.240 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: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -122.846475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.846475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.846475 (E_RNA) where: Base-Base interactions energy: -49.709 where: short stacking energy: -49.709 Base-Backbone interact. energy: -0.334 local terms energy: -72.803224 where: bonds (distance) C4'-P energy: -23.386 bonds (distance) P-C4' energy: -22.248 flat angles C4'-P-C4' energy: -16.923 flat angles P-C4'-P energy: -11.143 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: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -398.499420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.499420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.499420 (E_RNA) where: Base-Base interactions energy: -272.126 where: short stacking energy: -119.491 Base-Backbone interact. energy: -0.450 local terms energy: -125.923150 where: bonds (distance) C4'-P energy: -27.936 bonds (distance) P-C4' energy: -22.612 flat angles C4'-P-C4' energy: -23.031 flat angles P-C4'-P energy: -19.785 tors. eta vs tors. theta energy: -32.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -405.558341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.558341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.558341 (E_RNA) where: Base-Base interactions energy: -292.954 where: short stacking energy: -119.856 Base-Backbone interact. energy: 0.235 local terms energy: -112.839989 where: bonds (distance) C4'-P energy: -22.012 bonds (distance) P-C4' energy: -21.787 flat angles C4'-P-C4' energy: -21.097 flat angles P-C4'-P energy: -14.029 tors. eta vs tors. theta energy: -33.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -386.327247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.327247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.327247 (E_RNA) where: Base-Base interactions energy: -262.257 where: short stacking energy: -123.126 Base-Backbone interact. energy: -0.064 local terms energy: -124.005644 where: bonds (distance) C4'-P energy: -18.217 bonds (distance) P-C4' energy: -23.482 flat angles C4'-P-C4' energy: -25.862 flat angles P-C4'-P energy: -21.204 tors. eta vs tors. theta energy: -35.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -331.776792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.776792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.776792 (E_RNA) where: Base-Base interactions energy: -213.747 where: short stacking energy: -107.787 Base-Backbone interact. energy: -1.097 local terms energy: -116.932095 where: bonds (distance) C4'-P energy: -20.604 bonds (distance) P-C4' energy: -25.973 flat angles C4'-P-C4' energy: -20.713 flat angles P-C4'-P energy: -18.308 tors. eta vs tors. theta energy: -31.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -327.501006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.501006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.501006 (E_RNA) where: Base-Base interactions energy: -221.750 where: short stacking energy: -91.786 Base-Backbone interact. energy: -0.205 local terms energy: -105.546065 where: bonds (distance) C4'-P energy: -20.625 bonds (distance) P-C4' energy: -25.962 flat angles C4'-P-C4' energy: -14.416 flat angles P-C4'-P energy: -15.752 tors. eta vs tors. theta energy: -28.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -307.985580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.985580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.985580 (E_RNA) where: Base-Base interactions energy: -197.262 where: short stacking energy: -98.268 Base-Backbone interact. energy: -0.946 local terms energy: -109.777429 where: bonds (distance) C4'-P energy: -19.951 bonds (distance) P-C4' energy: -14.566 flat angles C4'-P-C4' energy: -27.671 flat angles P-C4'-P energy: -16.021 tors. eta vs tors. theta energy: -31.568 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: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -243.192377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.192377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.192377 (E_RNA) where: Base-Base interactions energy: -139.641 where: short stacking energy: -58.404 Base-Backbone interact. energy: -1.107 local terms energy: -102.444374 where: bonds (distance) C4'-P energy: -25.180 bonds (distance) P-C4' energy: -27.533 flat angles C4'-P-C4' energy: -21.109 flat angles P-C4'-P energy: -16.908 tors. eta vs tors. theta energy: -11.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -236.464172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.464172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.464172 (E_RNA) where: Base-Base interactions energy: -145.626 where: short stacking energy: -74.090 Base-Backbone interact. energy: -0.369 local terms energy: -90.468922 where: bonds (distance) C4'-P energy: -15.595 bonds (distance) P-C4' energy: -20.515 flat angles C4'-P-C4' energy: -16.550 flat angles P-C4'-P energy: -15.558 tors. eta vs tors. theta energy: -22.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -201.469923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.469923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.469923 (E_RNA) where: Base-Base interactions energy: -111.603 where: short stacking energy: -65.177 Base-Backbone interact. energy: -0.054 local terms energy: -89.812390 where: bonds (distance) C4'-P energy: -19.121 bonds (distance) P-C4' energy: -18.552 flat angles C4'-P-C4' energy: -21.352 flat angles P-C4'-P energy: -17.575 tors. eta vs tors. theta energy: -13.212 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: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -124.076627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.076627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.076627 (E_RNA) where: Base-Base interactions energy: -51.718 where: short stacking energy: -43.205 Base-Backbone interact. energy: 1.998 local terms energy: -74.356286 where: bonds (distance) C4'-P energy: -25.753 bonds (distance) P-C4' energy: -21.598 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -7.171 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: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -393.095005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.095005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.095005 (E_RNA) where: Base-Base interactions energy: -267.427 where: short stacking energy: -121.180 Base-Backbone interact. energy: -0.155 local terms energy: -125.512404 where: bonds (distance) C4'-P energy: -25.586 bonds (distance) P-C4' energy: -24.969 flat angles C4'-P-C4' energy: -24.814 flat angles P-C4'-P energy: -19.965 tors. eta vs tors. theta energy: -30.179 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: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -384.133749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.133749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.133749 (E_RNA) where: Base-Base interactions energy: -262.427 where: short stacking energy: -109.368 Base-Backbone interact. energy: -1.092 local terms energy: -120.614032 where: bonds (distance) C4'-P energy: -24.211 bonds (distance) P-C4' energy: -24.268 flat angles C4'-P-C4' energy: -25.176 flat angles P-C4'-P energy: -20.837 tors. eta vs tors. theta energy: -26.122 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: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -398.818020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.818020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.818020 (E_RNA) where: Base-Base interactions energy: -270.761 where: short stacking energy: -114.751 Base-Backbone interact. energy: -0.027 local terms energy: -128.029472 where: bonds (distance) C4'-P energy: -23.221 bonds (distance) P-C4' energy: -26.639 flat angles C4'-P-C4' energy: -26.393 flat angles P-C4'-P energy: -16.449 tors. eta vs tors. theta energy: -35.327 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: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -345.163897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.163897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.163897 (E_RNA) where: Base-Base interactions energy: -229.629 where: short stacking energy: -113.139 Base-Backbone interact. energy: -0.426 local terms energy: -115.109136 where: bonds (distance) C4'-P energy: -22.254 bonds (distance) P-C4' energy: -19.585 flat angles C4'-P-C4' energy: -24.189 flat angles P-C4'-P energy: -14.264 tors. eta vs tors. theta energy: -34.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -323.204950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.204950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.204950 (E_RNA) where: Base-Base interactions energy: -204.568 where: short stacking energy: -92.248 Base-Backbone interact. energy: -1.205 local terms energy: -117.431708 where: bonds (distance) C4'-P energy: -20.258 bonds (distance) P-C4' energy: -22.253 flat angles C4'-P-C4' energy: -25.733 flat angles P-C4'-P energy: -21.516 tors. eta vs tors. theta energy: -27.672 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: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -340.956617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.956617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.956617 (E_RNA) where: Base-Base interactions energy: -241.981 where: short stacking energy: -105.003 Base-Backbone interact. energy: 0.279 local terms energy: -99.254821 where: bonds (distance) C4'-P energy: -20.290 bonds (distance) P-C4' energy: -17.479 flat angles C4'-P-C4' energy: -22.817 flat angles P-C4'-P energy: -14.406 tors. eta vs tors. theta energy: -24.263 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: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -249.451767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.451767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.451767 (E_RNA) where: Base-Base interactions energy: -160.118 where: short stacking energy: -75.987 Base-Backbone interact. energy: -0.881 local terms energy: -88.453157 where: bonds (distance) C4'-P energy: -22.353 bonds (distance) P-C4' energy: -16.232 flat angles C4'-P-C4' energy: -26.432 flat angles P-C4'-P energy: -14.056 tors. eta vs tors. theta energy: -9.381 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: 248 Temperature: 1.250000 Total energy: -231.494848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.494848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.494848 (E_RNA) where: Base-Base interactions energy: -147.123 where: short stacking energy: -64.198 Base-Backbone interact. energy: -0.882 local terms energy: -83.489652 where: bonds (distance) C4'-P energy: -24.172 bonds (distance) P-C4' energy: -23.097 flat angles C4'-P-C4' energy: -15.689 flat angles P-C4'-P energy: -13.735 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -189.415023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.415023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.415023 (E_RNA) where: Base-Base interactions energy: -121.305 where: short stacking energy: -58.328 Base-Backbone interact. energy: -0.283 local terms energy: -67.827496 where: bonds (distance) C4'-P energy: -14.722 bonds (distance) P-C4' energy: -19.787 flat angles C4'-P-C4' energy: -19.037 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -125.423735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.423735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.423735 (E_RNA) where: Base-Base interactions energy: -56.149 where: short stacking energy: -41.963 Base-Backbone interact. energy: -0.298 local terms energy: -68.976661 where: bonds (distance) C4'-P energy: -19.718 bonds (distance) P-C4' energy: -18.786 flat angles C4'-P-C4' energy: -15.811 flat angles P-C4'-P energy: -10.115 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -378.207298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.207298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.207298 (E_RNA) where: Base-Base interactions energy: -263.652 where: short stacking energy: -101.177 Base-Backbone interact. energy: -0.095 local terms energy: -114.460094 where: bonds (distance) C4'-P energy: -24.558 bonds (distance) P-C4' energy: -24.736 flat angles C4'-P-C4' energy: -22.321 flat angles P-C4'-P energy: -15.384 tors. eta vs tors. theta energy: -27.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -410.952175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.952175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.952175 (E_RNA) where: Base-Base interactions energy: -286.991 where: short stacking energy: -120.791 Base-Backbone interact. energy: 2.375 local terms energy: -126.335641 where: bonds (distance) C4'-P energy: -23.242 bonds (distance) P-C4' energy: -21.102 flat angles C4'-P-C4' energy: -26.998 flat angles P-C4'-P energy: -23.120 tors. eta vs tors. theta energy: -31.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -384.444631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.444631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.444631 (E_RNA) where: Base-Base interactions energy: -266.113 where: short stacking energy: -119.793 Base-Backbone interact. energy: -0.479 local terms energy: -117.852447 where: bonds (distance) C4'-P energy: -20.308 bonds (distance) P-C4' energy: -23.193 flat angles C4'-P-C4' energy: -18.514 flat angles P-C4'-P energy: -21.019 tors. eta vs tors. theta energy: -34.817 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: 4, replica: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -331.714102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.714102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.714102 (E_RNA) where: Base-Base interactions energy: -218.617 where: short stacking energy: -116.611 Base-Backbone interact. energy: -0.092 local terms energy: -113.005148 where: bonds (distance) C4'-P energy: -18.242 bonds (distance) P-C4' energy: -22.414 flat angles C4'-P-C4' energy: -27.726 flat angles P-C4'-P energy: -14.361 tors. eta vs tors. theta energy: -30.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -332.627675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.627675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.627675 (E_RNA) where: Base-Base interactions energy: -213.967 where: short stacking energy: -107.864 Base-Backbone interact. energy: -0.610 local terms energy: -118.050343 where: bonds (distance) C4'-P energy: -17.015 bonds (distance) P-C4' energy: -24.964 flat angles C4'-P-C4' energy: -26.561 flat angles P-C4'-P energy: -18.344 tors. eta vs tors. theta energy: -31.166 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: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -258.218895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.218895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.218895 (E_RNA) where: Base-Base interactions energy: -164.114 where: short stacking energy: -73.878 Base-Backbone interact. energy: 1.376 local terms energy: -95.481020 where: bonds (distance) C4'-P energy: -18.474 bonds (distance) P-C4' energy: -22.981 flat angles C4'-P-C4' energy: -23.268 flat angles P-C4'-P energy: -11.597 tors. eta vs tors. theta energy: -19.160 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: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -350.771289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.771289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.771289 (E_RNA) where: Base-Base interactions energy: -237.782 where: short stacking energy: -107.040 Base-Backbone interact. energy: -0.338 local terms energy: -112.651412 where: bonds (distance) C4'-P energy: -24.945 bonds (distance) P-C4' energy: -18.604 flat angles C4'-P-C4' energy: -21.712 flat angles P-C4'-P energy: -16.734 tors. eta vs tors. theta energy: -30.657 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: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -224.052026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.052026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.052026 (E_RNA) where: Base-Base interactions energy: -142.392 where: short stacking energy: -68.320 Base-Backbone interact. energy: -0.749 local terms energy: -80.910598 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -21.319 flat angles C4'-P-C4' energy: -24.632 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -9.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -177.911882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.911882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.911882 (E_RNA) where: Base-Base interactions energy: -99.903 where: short stacking energy: -50.765 Base-Backbone interact. energy: -0.358 local terms energy: -77.650940 where: bonds (distance) C4'-P energy: -21.945 bonds (distance) P-C4' energy: -22.279 flat angles C4'-P-C4' energy: -22.166 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -140.069809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.069809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.069809 (E_RNA) where: Base-Base interactions energy: -59.208 where: short stacking energy: -41.507 Base-Backbone interact. energy: -0.190 local terms energy: -80.672452 where: bonds (distance) C4'-P energy: -24.189 bonds (distance) P-C4' energy: -22.847 flat angles C4'-P-C4' energy: -18.038 flat angles P-C4'-P energy: -12.229 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -414.405702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.405702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.405702 (E_RNA) where: Base-Base interactions energy: -283.834 where: short stacking energy: -125.163 Base-Backbone interact. energy: -0.608 local terms energy: -129.964029 where: bonds (distance) C4'-P energy: -25.739 bonds (distance) P-C4' energy: -20.849 flat angles C4'-P-C4' energy: -26.745 flat angles P-C4'-P energy: -20.509 tors. eta vs tors. theta energy: -36.122 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: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -366.902273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.902273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.902273 (E_RNA) where: Base-Base interactions energy: -256.623 where: short stacking energy: -104.576 Base-Backbone interact. energy: -0.189 local terms energy: -110.090172 where: bonds (distance) C4'-P energy: -20.242 bonds (distance) P-C4' energy: -19.857 flat angles C4'-P-C4' energy: -26.254 flat angles P-C4'-P energy: -17.134 tors. eta vs tors. theta energy: -26.603 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: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -394.952517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.952517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.952517 (E_RNA) where: Base-Base interactions energy: -268.674 where: short stacking energy: -118.389 Base-Backbone interact. energy: -0.226 local terms energy: -126.052904 where: bonds (distance) C4'-P energy: -18.001 bonds (distance) P-C4' energy: -27.489 flat angles C4'-P-C4' energy: -24.719 flat angles P-C4'-P energy: -18.703 tors. eta vs tors. theta energy: -37.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -334.392648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.392648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.392648 (E_RNA) where: Base-Base interactions energy: -209.964 where: short stacking energy: -109.115 Base-Backbone interact. energy: 0.222 local terms energy: -124.650643 where: bonds (distance) C4'-P energy: -18.153 bonds (distance) P-C4' energy: -26.004 flat angles C4'-P-C4' energy: -25.602 flat angles P-C4'-P energy: -20.597 tors. eta vs tors. theta energy: -34.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -337.372897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.372897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.372897 (E_RNA) where: Base-Base interactions energy: -216.545 where: short stacking energy: -103.099 Base-Backbone interact. energy: -0.058 local terms energy: -120.770112 where: bonds (distance) C4'-P energy: -25.254 bonds (distance) P-C4' energy: -25.860 flat angles C4'-P-C4' energy: -26.403 flat angles P-C4'-P energy: -11.765 tors. eta vs tors. theta energy: -31.488 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: 6, replica: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -257.359112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.359112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.359112 (E_RNA) where: Base-Base interactions energy: -169.759 where: short stacking energy: -81.934 Base-Backbone interact. energy: -0.172 local terms energy: -87.427562 where: bonds (distance) C4'-P energy: -15.565 bonds (distance) P-C4' energy: -23.988 flat angles C4'-P-C4' energy: -21.786 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -15.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -257.579279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.579279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.579279 (E_RNA) where: Base-Base interactions energy: -166.895 where: short stacking energy: -78.729 Base-Backbone interact. energy: 1.313 local terms energy: -91.997087 where: bonds (distance) C4'-P energy: -19.334 bonds (distance) P-C4' energy: -22.152 flat angles C4'-P-C4' energy: -20.368 flat angles P-C4'-P energy: -18.701 tors. eta vs tors. theta energy: -11.443 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: 250 Temperature: 1.250000 Total energy: -314.531654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.531654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.531654 (E_RNA) where: Base-Base interactions energy: -213.194 where: short stacking energy: -89.687 Base-Backbone interact. energy: -0.789 local terms energy: -100.548230 where: bonds (distance) C4'-P energy: -24.795 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -25.671 flat angles P-C4'-P energy: -13.172 tors. eta vs tors. theta energy: -25.770 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: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -184.657603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.657603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.657603 (E_RNA) where: Base-Base interactions energy: -114.926 where: short stacking energy: -64.930 Base-Backbone interact. energy: 1.304 local terms energy: -71.036389 where: bonds (distance) C4'-P energy: -16.014 bonds (distance) P-C4' energy: -18.823 flat angles C4'-P-C4' energy: -18.130 flat angles P-C4'-P energy: -11.100 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: 10, replica: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -122.499475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.499475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.499475 (E_RNA) where: Base-Base interactions energy: -49.320 where: short stacking energy: -39.336 Base-Backbone interact. energy: -1.204 local terms energy: -71.975567 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -25.053 flat angles C4'-P-C4' energy: -18.889 flat angles P-C4'-P energy: -10.013 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: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -404.817131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.817131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.817131 (E_RNA) where: Base-Base interactions energy: -280.952 where: short stacking energy: -114.957 Base-Backbone interact. energy: -0.348 local terms energy: -123.517563 where: bonds (distance) C4'-P energy: -20.359 bonds (distance) P-C4' energy: -22.278 flat angles C4'-P-C4' energy: -30.927 flat angles P-C4'-P energy: -18.251 tors. eta vs tors. theta energy: -31.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -395.492793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.492793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.492793 (E_RNA) where: Base-Base interactions energy: -270.819 where: short stacking energy: -112.946 Base-Backbone interact. energy: -0.140 local terms energy: -124.534061 where: bonds (distance) C4'-P energy: -18.997 bonds (distance) P-C4' energy: -27.247 flat angles C4'-P-C4' energy: -25.525 flat angles P-C4'-P energy: -18.112 tors. eta vs tors. theta energy: -34.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -364.990473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.990473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.990473 (E_RNA) where: Base-Base interactions energy: -251.526 where: short stacking energy: -116.601 Base-Backbone interact. energy: -0.194 local terms energy: -113.270528 where: bonds (distance) C4'-P energy: -23.184 bonds (distance) P-C4' energy: -20.426 flat angles C4'-P-C4' energy: -25.151 flat angles P-C4'-P energy: -15.040 tors. eta vs tors. theta energy: -29.469 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: 251 Temperature: 1.050000 Total energy: -345.545557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.545557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.545557 (E_RNA) where: Base-Base interactions energy: -222.169 where: short stacking energy: -100.334 Base-Backbone interact. energy: -0.068 local terms energy: -123.309015 where: bonds (distance) C4'-P energy: -23.739 bonds (distance) P-C4' energy: -27.829 flat angles C4'-P-C4' energy: -24.297 flat angles P-C4'-P energy: -20.181 tors. eta vs tors. theta energy: -27.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -317.377830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.377830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.377830 (E_RNA) where: Base-Base interactions energy: -212.762 where: short stacking energy: -92.362 Base-Backbone interact. energy: 0.339 local terms energy: -104.954772 where: bonds (distance) C4'-P energy: -24.862 bonds (distance) P-C4' energy: -17.733 flat angles C4'-P-C4' energy: -23.250 flat angles P-C4'-P energy: -10.041 tors. eta vs tors. theta energy: -29.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -268.836166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.836166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.836166 (E_RNA) where: Base-Base interactions energy: -178.060 where: short stacking energy: -89.782 Base-Backbone interact. energy: -0.149 local terms energy: -90.627173 where: bonds (distance) C4'-P energy: -18.568 bonds (distance) P-C4' energy: -23.682 flat angles C4'-P-C4' energy: -23.232 flat angles P-C4'-P energy: -9.940 tors. eta vs tors. theta energy: -15.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -245.240798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.240798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.240798 (E_RNA) where: Base-Base interactions energy: -149.398 where: short stacking energy: -75.814 Base-Backbone interact. energy: -0.172 local terms energy: -95.670865 where: bonds (distance) C4'-P energy: -16.192 bonds (distance) P-C4' energy: -22.304 flat angles C4'-P-C4' energy: -25.666 flat angles P-C4'-P energy: -18.815 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -335.537959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.537959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.537959 (E_RNA) where: Base-Base interactions energy: -224.821 where: short stacking energy: -96.404 Base-Backbone interact. energy: -0.173 local terms energy: -110.543887 where: bonds (distance) C4'-P energy: -21.547 bonds (distance) P-C4' energy: -17.503 flat angles C4'-P-C4' energy: -23.537 flat angles P-C4'-P energy: -19.366 tors. eta vs tors. theta energy: -28.591 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: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -175.474985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.474985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.474985 (E_RNA) where: Base-Base interactions energy: -90.978 where: short stacking energy: -57.576 Base-Backbone interact. energy: -0.077 local terms energy: -84.419249 where: bonds (distance) C4'-P energy: -24.732 bonds (distance) P-C4' energy: -26.241 flat angles C4'-P-C4' energy: -20.237 flat angles P-C4'-P energy: -7.217 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: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -130.041590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.041590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.041590 (E_RNA) where: Base-Base interactions energy: -50.736 where: short stacking energy: -50.736 Base-Backbone interact. energy: -0.314 local terms energy: -78.991387 where: bonds (distance) C4'-P energy: -23.553 bonds (distance) P-C4' energy: -23.217 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -13.644 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: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -405.750829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.750829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.750829 (E_RNA) where: Base-Base interactions energy: -275.181 where: short stacking energy: -113.502 Base-Backbone interact. energy: -1.130 local terms energy: -129.439552 where: bonds (distance) C4'-P energy: -27.528 bonds (distance) P-C4' energy: -26.198 flat angles C4'-P-C4' energy: -24.717 flat angles P-C4'-P energy: -16.775 tors. eta vs tors. theta energy: -34.221 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: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -394.910944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.910944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.910944 (E_RNA) where: Base-Base interactions energy: -271.780 where: short stacking energy: -116.005 Base-Backbone interact. energy: -2.073 local terms energy: -121.057027 where: bonds (distance) C4'-P energy: -20.022 bonds (distance) P-C4' energy: -21.937 flat angles C4'-P-C4' energy: -25.996 flat angles P-C4'-P energy: -18.652 tors. eta vs tors. theta energy: -34.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -359.838032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.838032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.838032 (E_RNA) where: Base-Base interactions energy: -239.425 where: short stacking energy: -107.516 Base-Backbone interact. energy: -0.208 local terms energy: -120.204395 where: bonds (distance) C4'-P energy: -23.961 bonds (distance) P-C4' energy: -22.650 flat angles C4'-P-C4' energy: -25.773 flat angles P-C4'-P energy: -16.262 tors. eta vs tors. theta energy: -31.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -352.591561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.591561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.591561 (E_RNA) where: Base-Base interactions energy: -226.346 where: short stacking energy: -114.637 Base-Backbone interact. energy: -0.414 local terms energy: -125.831474 where: bonds (distance) C4'-P energy: -19.627 bonds (distance) P-C4' energy: -25.359 flat angles C4'-P-C4' energy: -27.941 flat angles P-C4'-P energy: -18.618 tors. eta vs tors. theta energy: -34.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -329.362344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.362344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.362344 (E_RNA) where: Base-Base interactions energy: -213.159 where: short stacking energy: -97.365 Base-Backbone interact. energy: -0.123 local terms energy: -116.079781 where: bonds (distance) C4'-P energy: -22.981 bonds (distance) P-C4' energy: -18.872 flat angles C4'-P-C4' energy: -20.357 flat angles P-C4'-P energy: -20.000 tors. eta vs tors. theta energy: -33.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -262.582042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.582042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.582042 (E_RNA) where: Base-Base interactions energy: -174.094 where: short stacking energy: -78.213 Base-Backbone interact. energy: -0.308 local terms energy: -88.179613 where: bonds (distance) C4'-P energy: -20.522 bonds (distance) P-C4' energy: -14.992 flat angles C4'-P-C4' energy: -24.196 flat angles P-C4'-P energy: -13.853 tors. eta vs tors. theta energy: -14.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -323.384240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.384240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.384240 (E_RNA) where: Base-Base interactions energy: -228.015 where: short stacking energy: -85.797 Base-Backbone interact. energy: -0.203 local terms energy: -95.166215 where: bonds (distance) C4'-P energy: -17.644 bonds (distance) P-C4' energy: -20.693 flat angles C4'-P-C4' energy: -19.000 flat angles P-C4'-P energy: -18.112 tors. eta vs tors. theta energy: -19.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -236.668674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.668674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.668674 (E_RNA) where: Base-Base interactions energy: -146.745 where: short stacking energy: -75.407 Base-Backbone interact. energy: 2.062 local terms energy: -91.986303 where: bonds (distance) C4'-P energy: -21.938 bonds (distance) P-C4' energy: -21.653 flat angles C4'-P-C4' energy: -20.710 flat angles P-C4'-P energy: -16.845 tors. eta vs tors. theta energy: -10.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -121.830963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.830963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.830963 (E_RNA) where: Base-Base interactions energy: -47.208 where: short stacking energy: -39.802 Base-Backbone interact. energy: -0.482 local terms energy: -74.141093 where: bonds (distance) C4'-P energy: -21.958 bonds (distance) P-C4' energy: -23.827 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -12.600 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -122.361523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.361523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.361523 (E_RNA) where: Base-Base interactions energy: -51.185 where: short stacking energy: -41.784 Base-Backbone interact. energy: -0.446 local terms energy: -70.730238 where: bonds (distance) C4'-P energy: -16.945 bonds (distance) P-C4' energy: -22.877 flat angles C4'-P-C4' energy: -17.372 flat angles P-C4'-P energy: -7.269 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: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -397.804991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.804991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.804991 (E_RNA) where: Base-Base interactions energy: -278.524 where: short stacking energy: -116.174 Base-Backbone interact. energy: -0.331 local terms energy: -118.949810 where: bonds (distance) C4'-P energy: -23.082 bonds (distance) P-C4' energy: -19.922 flat angles C4'-P-C4' energy: -27.211 flat angles P-C4'-P energy: -15.351 tors. eta vs tors. theta energy: -33.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -390.351559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.351559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.351559 (E_RNA) where: Base-Base interactions energy: -268.652 where: short stacking energy: -108.126 Base-Backbone interact. energy: -1.098 local terms energy: -120.601711 where: bonds (distance) C4'-P energy: -24.344 bonds (distance) P-C4' energy: -25.728 flat angles C4'-P-C4' energy: -28.236 flat angles P-C4'-P energy: -11.770 tors. eta vs tors. theta energy: -30.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -359.427950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.427950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.427950 (E_RNA) where: Base-Base interactions energy: -242.858 where: short stacking energy: -111.981 Base-Backbone interact. energy: -0.144 local terms energy: -116.426556 where: bonds (distance) C4'-P energy: -22.361 bonds (distance) P-C4' energy: -23.153 flat angles C4'-P-C4' energy: -25.707 flat angles P-C4'-P energy: -14.274 tors. eta vs tors. theta energy: -30.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -362.516725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.516725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.516725 (E_RNA) where: Base-Base interactions energy: -231.228 where: short stacking energy: -111.394 Base-Backbone interact. energy: -0.008 local terms energy: -131.279834 where: bonds (distance) C4'-P energy: -26.228 bonds (distance) P-C4' energy: -24.088 flat angles C4'-P-C4' energy: -25.557 flat angles P-C4'-P energy: -22.286 tors. eta vs tors. theta energy: -33.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -328.499413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.499413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.499413 (E_RNA) where: Base-Base interactions energy: -217.027 where: short stacking energy: -110.128 Base-Backbone interact. energy: -0.671 local terms energy: -110.800635 where: bonds (distance) C4'-P energy: -19.515 bonds (distance) P-C4' energy: -25.968 flat angles C4'-P-C4' energy: -23.519 flat angles P-C4'-P energy: -15.298 tors. eta vs tors. theta energy: -26.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -328.284314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.284314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.284314 (E_RNA) where: Base-Base interactions energy: -217.998 where: short stacking energy: -96.470 Base-Backbone interact. energy: -0.798 local terms energy: -109.488678 where: bonds (distance) C4'-P energy: -20.319 bonds (distance) P-C4' energy: -27.036 flat angles C4'-P-C4' energy: -25.472 flat angles P-C4'-P energy: -15.938 tors. eta vs tors. theta energy: -20.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -252.556455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.556455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.556455 (E_RNA) where: Base-Base interactions energy: -165.074 where: short stacking energy: -72.227 Base-Backbone interact. energy: -0.313 local terms energy: -87.169261 where: bonds (distance) C4'-P energy: -20.501 bonds (distance) P-C4' energy: -23.215 flat angles C4'-P-C4' energy: -21.790 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -11.299 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: 253 Temperature: 1.250000 Total energy: -217.094265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.094265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.094265 (E_RNA) where: Base-Base interactions energy: -133.675 where: short stacking energy: -59.291 Base-Backbone interact. energy: 0.126 local terms energy: -83.544546 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -19.523 flat angles C4'-P-C4' energy: -22.932 flat angles P-C4'-P energy: -17.181 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: 9, replica: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -144.107943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.107943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.107943 (E_RNA) where: Base-Base interactions energy: -57.774 where: short stacking energy: -31.788 Base-Backbone interact. energy: 0.910 local terms energy: -87.243106 where: bonds (distance) C4'-P energy: -23.356 bonds (distance) P-C4' energy: -22.613 flat angles C4'-P-C4' energy: -24.238 flat angles P-C4'-P energy: -16.854 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: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -119.607961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.607961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.607961 (E_RNA) where: Base-Base interactions energy: -42.736 where: short stacking energy: -42.570 Base-Backbone interact. energy: -0.171 local terms energy: -76.701300 where: bonds (distance) C4'-P energy: -18.525 bonds (distance) P-C4' energy: -16.501 flat angles C4'-P-C4' energy: -18.466 flat angles P-C4'-P energy: -13.679 tors. eta vs tors. theta energy: -9.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -417.458546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.458546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.458546 (E_RNA) where: Base-Base interactions energy: -296.826 where: short stacking energy: -117.701 Base-Backbone interact. energy: -0.013 local terms energy: -120.619594 where: bonds (distance) C4'-P energy: -17.762 bonds (distance) P-C4' energy: -23.266 flat angles C4'-P-C4' energy: -25.919 flat angles P-C4'-P energy: -17.383 tors. eta vs tors. theta energy: -36.289 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: 254 Temperature: 0.950000 Total energy: -403.228482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.228482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.228482 (E_RNA) where: Base-Base interactions energy: -280.295 where: short stacking energy: -114.165 Base-Backbone interact. energy: -0.106 local terms energy: -122.826982 where: bonds (distance) C4'-P energy: -29.059 bonds (distance) P-C4' energy: -23.331 flat angles C4'-P-C4' energy: -20.573 flat angles P-C4'-P energy: -15.590 tors. eta vs tors. theta energy: -34.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -368.543406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.543406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.543406 (E_RNA) where: Base-Base interactions energy: -244.223 where: short stacking energy: -107.317 Base-Backbone interact. energy: -0.018 local terms energy: -124.302586 where: bonds (distance) C4'-P energy: -24.873 bonds (distance) P-C4' energy: -23.753 flat angles C4'-P-C4' energy: -25.857 flat angles P-C4'-P energy: -17.698 tors. eta vs tors. theta energy: -32.121 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: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -327.854886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.854886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.854886 (E_RNA) where: Base-Base interactions energy: -222.564 where: short stacking energy: -103.751 Base-Backbone interact. energy: -0.584 local terms energy: -104.707481 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -20.442 flat angles C4'-P-C4' energy: -21.625 flat angles P-C4'-P energy: -16.529 tors. eta vs tors. theta energy: -30.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -348.235791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.235791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.235791 (E_RNA) where: Base-Base interactions energy: -229.108 where: short stacking energy: -103.476 Base-Backbone interact. energy: -0.907 local terms energy: -118.220851 where: bonds (distance) C4'-P energy: -25.171 bonds (distance) P-C4' energy: -21.172 flat angles C4'-P-C4' energy: -22.300 flat angles P-C4'-P energy: -16.630 tors. eta vs tors. theta energy: -32.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -342.094085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.094085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.094085 (E_RNA) where: Base-Base interactions energy: -214.638 where: short stacking energy: -108.990 Base-Backbone interact. energy: -0.047 local terms energy: -127.408214 where: bonds (distance) C4'-P energy: -26.632 bonds (distance) P-C4' energy: -23.857 flat angles C4'-P-C4' energy: -28.325 flat angles P-C4'-P energy: -15.925 tors. eta vs tors. theta energy: -32.668 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: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -239.764964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.764964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.764964 (E_RNA) where: Base-Base interactions energy: -147.195 where: short stacking energy: -72.089 Base-Backbone interact. energy: -0.542 local terms energy: -92.027476 where: bonds (distance) C4'-P energy: -16.506 bonds (distance) P-C4' energy: -25.792 flat angles C4'-P-C4' energy: -27.036 flat angles P-C4'-P energy: -13.521 tors. eta vs tors. theta energy: -9.173 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: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -215.013292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.013292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.013292 (E_RNA) where: Base-Base interactions energy: -135.305 where: short stacking energy: -61.027 Base-Backbone interact. energy: -0.457 local terms energy: -79.251794 where: bonds (distance) C4'-P energy: -17.070 bonds (distance) P-C4' energy: -19.379 flat angles C4'-P-C4' energy: -22.893 flat angles P-C4'-P energy: -14.880 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -133.387549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.387549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.387549 (E_RNA) where: Base-Base interactions energy: -46.040 where: short stacking energy: -42.087 Base-Backbone interact. energy: -0.130 local terms energy: -87.218099 where: bonds (distance) C4'-P energy: -23.478 bonds (distance) P-C4' energy: -27.251 flat angles C4'-P-C4' energy: -18.269 flat angles P-C4'-P energy: -13.597 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -147.084441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.084441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.084441 (E_RNA) where: Base-Base interactions energy: -59.996 where: short stacking energy: -37.698 Base-Backbone interact. energy: 1.209 local terms energy: -88.296967 where: bonds (distance) C4'-P energy: -18.787 bonds (distance) P-C4' energy: -23.849 flat angles C4'-P-C4' energy: -25.912 flat angles P-C4'-P energy: -13.257 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -398.975835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.975835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.975835 (E_RNA) where: Base-Base interactions energy: -287.334 where: short stacking energy: -107.146 Base-Backbone interact. energy: -0.061 local terms energy: -111.580634 where: bonds (distance) C4'-P energy: -19.419 bonds (distance) P-C4' energy: -24.487 flat angles C4'-P-C4' energy: -19.925 flat angles P-C4'-P energy: -18.924 tors. eta vs tors. theta energy: -28.825 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: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -380.600810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.600810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.600810 (E_RNA) where: Base-Base interactions energy: -253.737 where: short stacking energy: -114.198 Base-Backbone interact. energy: -0.581 local terms energy: -126.282544 where: bonds (distance) C4'-P energy: -25.576 bonds (distance) P-C4' energy: -24.222 flat angles C4'-P-C4' energy: -26.250 flat angles P-C4'-P energy: -18.293 tors. eta vs tors. theta energy: -31.941 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: 255 Temperature: 1.000000 Total energy: -394.287537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.287537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.287537 (E_RNA) where: Base-Base interactions energy: -269.389 where: short stacking energy: -109.006 Base-Backbone interact. energy: -1.452 local terms energy: -123.446278 where: bonds (distance) C4'-P energy: -24.447 bonds (distance) P-C4' energy: -21.072 flat angles C4'-P-C4' energy: -23.269 flat angles P-C4'-P energy: -20.855 tors. eta vs tors. theta energy: -33.804 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: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -360.296834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.296834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.296834 (E_RNA) where: Base-Base interactions energy: -246.168 where: short stacking energy: -117.772 Base-Backbone interact. energy: -0.531 local terms energy: -113.598158 where: bonds (distance) C4'-P energy: -16.621 bonds (distance) P-C4' energy: -20.494 flat angles C4'-P-C4' energy: -26.123 flat angles P-C4'-P energy: -17.551 tors. eta vs tors. theta energy: -32.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -334.289887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.289887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.289887 (E_RNA) where: Base-Base interactions energy: -220.909 where: short stacking energy: -98.775 Base-Backbone interact. energy: -0.585 local terms energy: -112.795907 where: bonds (distance) C4'-P energy: -25.648 bonds (distance) P-C4' energy: -19.935 flat angles C4'-P-C4' energy: -20.169 flat angles P-C4'-P energy: -14.310 tors. eta vs tors. theta energy: -32.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -331.616658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.616658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.616658 (E_RNA) where: Base-Base interactions energy: -211.974 where: short stacking energy: -104.962 Base-Backbone interact. energy: -0.544 local terms energy: -119.098056 where: bonds (distance) C4'-P energy: -24.941 bonds (distance) P-C4' energy: -21.414 flat angles C4'-P-C4' energy: -25.949 flat angles P-C4'-P energy: -16.913 tors. eta vs tors. theta energy: -29.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -268.256213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.256213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.256213 (E_RNA) where: Base-Base interactions energy: -161.668 where: short stacking energy: -82.647 Base-Backbone interact. energy: -0.398 local terms energy: -106.190792 where: bonds (distance) C4'-P energy: -18.072 bonds (distance) P-C4' energy: -25.765 flat angles C4'-P-C4' energy: -28.118 flat angles P-C4'-P energy: -13.185 tors. eta vs tors. theta energy: -21.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -221.759093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.759093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.759093 (E_RNA) where: Base-Base interactions energy: -151.063 where: short stacking energy: -68.726 Base-Backbone interact. energy: -0.218 local terms energy: -70.477898 where: bonds (distance) C4'-P energy: -21.856 bonds (distance) P-C4' energy: -20.897 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -140.070324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.070324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.070324 (E_RNA) where: Base-Base interactions energy: -61.952 where: short stacking energy: -57.974 Base-Backbone interact. energy: 0.881 local terms energy: -78.999294 where: bonds (distance) C4'-P energy: -21.448 bonds (distance) P-C4' energy: -21.653 flat angles C4'-P-C4' energy: -16.137 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -14.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -118.348130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.348130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.348130 (E_RNA) where: Base-Base interactions energy: -50.393 where: short stacking energy: -31.563 Base-Backbone interact. energy: -0.290 local terms energy: -67.665417 where: bonds (distance) C4'-P energy: -23.838 bonds (distance) P-C4' energy: -13.386 flat angles C4'-P-C4' energy: -16.404 flat angles P-C4'-P energy: -15.542 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: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -414.701122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.701122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.701122 (E_RNA) where: Base-Base interactions energy: -294.794 where: short stacking energy: -117.880 Base-Backbone interact. energy: -0.287 local terms energy: -119.619992 where: bonds (distance) C4'-P energy: -20.828 bonds (distance) P-C4' energy: -24.715 flat angles C4'-P-C4' energy: -24.607 flat angles P-C4'-P energy: -14.155 tors. eta vs tors. theta energy: -35.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -360.628154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.628154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.628154 (E_RNA) where: Base-Base interactions energy: -249.960 where: short stacking energy: -107.354 Base-Backbone interact. energy: -0.209 local terms energy: -110.459142 where: bonds (distance) C4'-P energy: -22.588 bonds (distance) P-C4' energy: -25.720 flat angles C4'-P-C4' energy: -23.978 flat angles P-C4'-P energy: -13.959 tors. eta vs tors. theta energy: -24.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -401.727303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.727303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.727303 (E_RNA) where: Base-Base interactions energy: -289.836 where: short stacking energy: -116.215 Base-Backbone interact. energy: -0.094 local terms energy: -111.796558 where: bonds (distance) C4'-P energy: -20.741 bonds (distance) P-C4' energy: -24.755 flat angles C4'-P-C4' energy: -21.229 flat angles P-C4'-P energy: -12.837 tors. eta vs tors. theta energy: -32.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -364.673924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.673924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.673924 (E_RNA) where: Base-Base interactions energy: -244.002 where: short stacking energy: -112.292 Base-Backbone interact. energy: -1.857 local terms energy: -118.815027 where: bonds (distance) C4'-P energy: -23.620 bonds (distance) P-C4' energy: -21.594 flat angles C4'-P-C4' energy: -23.422 flat angles P-C4'-P energy: -17.139 tors. eta vs tors. theta energy: -33.040 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: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -322.773271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.773271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.773271 (E_RNA) where: Base-Base interactions energy: -221.175 where: short stacking energy: -107.927 Base-Backbone interact. energy: -1.117 local terms energy: -100.481547 where: bonds (distance) C4'-P energy: -22.306 bonds (distance) P-C4' energy: -17.371 flat angles C4'-P-C4' energy: -17.280 flat angles P-C4'-P energy: -14.419 tors. eta vs tors. theta energy: -29.105 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: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -324.162862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.162862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.162862 (E_RNA) where: Base-Base interactions energy: -207.692 where: short stacking energy: -106.069 Base-Backbone interact. energy: 0.456 local terms energy: -116.926009 where: bonds (distance) C4'-P energy: -20.684 bonds (distance) P-C4' energy: -23.839 flat angles C4'-P-C4' energy: -26.703 flat angles P-C4'-P energy: -18.431 tors. eta vs tors. theta energy: -27.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -243.890851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.890851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.890851 (E_RNA) where: Base-Base interactions energy: -146.166 where: short stacking energy: -83.035 Base-Backbone interact. energy: -0.077 local terms energy: -97.648473 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -22.532 flat angles C4'-P-C4' energy: -27.244 flat angles P-C4'-P energy: -13.405 tors. eta vs tors. theta energy: -19.899 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: 8 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -241.074048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.074048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.074048 (E_RNA) where: Base-Base interactions energy: -155.495 where: short stacking energy: -77.581 Base-Backbone interact. energy: -0.734 local terms energy: -84.844197 where: bonds (distance) C4'-P energy: -20.391 bonds (distance) P-C4' energy: -19.626 flat angles C4'-P-C4' energy: -16.930 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -16.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -137.509211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.509211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.509211 (E_RNA) where: Base-Base interactions energy: -65.738 where: short stacking energy: -51.139 Base-Backbone interact. energy: -0.004 local terms energy: -71.767227 where: bonds (distance) C4'-P energy: -16.216 bonds (distance) P-C4' energy: -17.059 flat angles C4'-P-C4' energy: -17.012 flat angles P-C4'-P energy: -12.669 tors. eta vs tors. theta energy: -8.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -119.173753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.173753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.173753 (E_RNA) where: Base-Base interactions energy: -44.103 where: short stacking energy: -42.767 Base-Backbone interact. energy: -0.224 local terms energy: -74.847044 where: bonds (distance) C4'-P energy: -21.739 bonds (distance) P-C4' energy: -22.377 flat angles C4'-P-C4' energy: -17.318 flat angles P-C4'-P energy: -9.601 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -409.394755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.394755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.394755 (E_RNA) where: Base-Base interactions energy: -278.005 where: short stacking energy: -122.539 Base-Backbone interact. energy: -0.391 local terms energy: -130.999210 where: bonds (distance) C4'-P energy: -27.751 bonds (distance) P-C4' energy: -23.206 flat angles C4'-P-C4' energy: -25.072 flat angles P-C4'-P energy: -18.562 tors. eta vs tors. theta energy: -36.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -398.826566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.826566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.826566 (E_RNA) where: Base-Base interactions energy: -279.617 where: short stacking energy: -110.520 Base-Backbone interact. energy: -0.158 local terms energy: -119.051902 where: bonds (distance) C4'-P energy: -26.040 bonds (distance) P-C4' energy: -26.275 flat angles C4'-P-C4' energy: -25.968 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -30.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -374.457162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.457162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.457162 (E_RNA) where: Base-Base interactions energy: -257.732 where: short stacking energy: -94.034 Base-Backbone interact. energy: -1.905 local terms energy: -114.820011 where: bonds (distance) C4'-P energy: -24.294 bonds (distance) P-C4' energy: -24.321 flat angles C4'-P-C4' energy: -27.732 flat angles P-C4'-P energy: -14.550 tors. eta vs tors. theta energy: -23.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -348.552374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.552374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.552374 (E_RNA) where: Base-Base interactions energy: -234.450 where: short stacking energy: -120.868 Base-Backbone interact. energy: 0.725 local terms energy: -114.827661 where: bonds (distance) C4'-P energy: -20.515 bonds (distance) P-C4' energy: -21.773 flat angles C4'-P-C4' energy: -21.374 flat angles P-C4'-P energy: -15.613 tors. eta vs tors. theta energy: -35.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -376.260887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.260887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.260887 (E_RNA) where: Base-Base interactions energy: -252.102 where: short stacking energy: -116.065 Base-Backbone interact. energy: -1.507 local terms energy: -122.651443 where: bonds (distance) C4'-P energy: -23.852 bonds (distance) P-C4' energy: -19.175 flat angles C4'-P-C4' energy: -26.243 flat angles P-C4'-P energy: -18.311 tors. eta vs tors. theta energy: -35.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -259.277980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.277980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.277980 (E_RNA) where: Base-Base interactions energy: -154.650 where: short stacking energy: -80.113 Base-Backbone interact. energy: -1.048 local terms energy: -103.579595 where: bonds (distance) C4'-P energy: -21.619 bonds (distance) P-C4' energy: -26.963 flat angles C4'-P-C4' energy: -23.438 flat angles P-C4'-P energy: -13.896 tors. eta vs tors. theta energy: -17.663 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: 7, replica: 5 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -302.796803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.796803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.796803 (E_RNA) where: Base-Base interactions energy: -200.553 where: short stacking energy: -92.037 Base-Backbone interact. energy: -0.231 local terms energy: -102.012805 where: bonds (distance) C4'-P energy: -22.727 bonds (distance) P-C4' energy: -17.045 flat angles C4'-P-C4' energy: -22.351 flat angles P-C4'-P energy: -11.344 tors. eta vs tors. theta energy: -28.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -235.181402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.181402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.181402 (E_RNA) where: Base-Base interactions energy: -152.278 where: short stacking energy: -60.683 Base-Backbone interact. energy: 1.943 local terms energy: -84.846089 where: bonds (distance) C4'-P energy: -18.060 bonds (distance) P-C4' energy: -20.848 flat angles C4'-P-C4' energy: -19.593 flat angles P-C4'-P energy: -19.993 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -162.157647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.157647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.157647 (E_RNA) where: Base-Base interactions energy: -85.721 where: short stacking energy: -59.674 Base-Backbone interact. energy: 0.289 local terms energy: -76.726188 where: bonds (distance) C4'-P energy: -18.494 bonds (distance) P-C4' energy: -21.582 flat angles C4'-P-C4' energy: -21.392 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -132.878854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.878854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.878854 (E_RNA) where: Base-Base interactions energy: -49.990 where: short stacking energy: -51.652 Base-Backbone interact. energy: -0.814 local terms energy: -82.075116 where: bonds (distance) C4'-P energy: -17.315 bonds (distance) P-C4' energy: -23.944 flat angles C4'-P-C4' energy: -24.605 flat angles P-C4'-P energy: -8.225 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: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -414.281800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.281800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.281800 (E_RNA) where: Base-Base interactions energy: -276.965 where: short stacking energy: -127.394 Base-Backbone interact. energy: -0.610 local terms energy: -136.706668 where: bonds (distance) C4'-P energy: -26.232 bonds (distance) P-C4' energy: -25.328 flat angles C4'-P-C4' energy: -25.654 flat angles P-C4'-P energy: -20.306 tors. eta vs tors. theta energy: -39.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -404.090142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.090142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.090142 (E_RNA) where: Base-Base interactions energy: -277.772 where: short stacking energy: -114.155 Base-Backbone interact. energy: -0.487 local terms energy: -125.830681 where: bonds (distance) C4'-P energy: -23.266 bonds (distance) P-C4' energy: -25.396 flat angles C4'-P-C4' energy: -28.009 flat angles P-C4'-P energy: -12.137 tors. eta vs tors. theta energy: -37.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -352.672956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.672956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.672956 (E_RNA) where: Base-Base interactions energy: -229.908 where: short stacking energy: -105.941 Base-Backbone interact. energy: -0.117 local terms energy: -122.647850 where: bonds (distance) C4'-P energy: -27.394 bonds (distance) P-C4' energy: -26.163 flat angles C4'-P-C4' energy: -25.864 flat angles P-C4'-P energy: -15.510 tors. eta vs tors. theta energy: -27.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -367.287776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.287776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.287776 (E_RNA) where: Base-Base interactions energy: -253.677 where: short stacking energy: -110.641 Base-Backbone interact. energy: -0.297 local terms energy: -113.313234 where: bonds (distance) C4'-P energy: -20.007 bonds (distance) P-C4' energy: -24.677 flat angles C4'-P-C4' energy: -22.576 flat angles P-C4'-P energy: -15.482 tors. eta vs tors. theta energy: -30.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -341.624731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.624731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.624731 (E_RNA) where: Base-Base interactions energy: -234.197 where: short stacking energy: -102.647 Base-Backbone interact. energy: -0.107 local terms energy: -107.320937 where: bonds (distance) C4'-P energy: -21.180 bonds (distance) P-C4' energy: -22.478 flat angles C4'-P-C4' energy: -19.957 flat angles P-C4'-P energy: -16.391 tors. eta vs tors. theta energy: -27.314 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: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -254.005100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.005100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.005100 (E_RNA) where: Base-Base interactions energy: -157.328 where: short stacking energy: -72.418 Base-Backbone interact. energy: -0.847 local terms energy: -95.830712 where: bonds (distance) C4'-P energy: -18.635 bonds (distance) P-C4' energy: -17.382 flat angles C4'-P-C4' energy: -22.920 flat angles P-C4'-P energy: -21.660 tors. eta vs tors. theta energy: -15.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -276.124357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.124357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.124357 (E_RNA) where: Base-Base interactions energy: -190.841 where: short stacking energy: -90.877 Base-Backbone interact. energy: 0.986 local terms energy: -86.269945 where: bonds (distance) C4'-P energy: -16.781 bonds (distance) P-C4' energy: -20.226 flat angles C4'-P-C4' energy: -19.735 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -26.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -235.784535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.784535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.784535 (E_RNA) where: Base-Base interactions energy: -138.159 where: short stacking energy: -68.077 Base-Backbone interact. energy: -0.058 local terms energy: -97.567109 where: bonds (distance) C4'-P energy: -20.711 bonds (distance) P-C4' energy: -26.128 flat angles C4'-P-C4' energy: -17.097 flat angles P-C4'-P energy: -15.236 tors. eta vs tors. theta energy: -18.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -186.565721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.565721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.565721 (E_RNA) where: Base-Base interactions energy: -101.584 where: short stacking energy: -56.027 Base-Backbone interact. energy: -0.396 local terms energy: -84.586417 where: bonds (distance) C4'-P energy: -21.980 bonds (distance) P-C4' energy: -19.905 flat angles C4'-P-C4' energy: -25.574 flat angles P-C4'-P energy: -13.155 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -138.753508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.753508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.753508 (E_RNA) where: Base-Base interactions energy: -62.293 where: short stacking energy: -25.021 Base-Backbone interact. energy: -0.715 local terms energy: -75.745613 where: bonds (distance) C4'-P energy: -23.843 bonds (distance) P-C4' energy: -22.115 flat angles C4'-P-C4' energy: -19.161 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -391.372318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.372318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.372318 (E_RNA) where: Base-Base interactions energy: -270.131 where: short stacking energy: -116.368 Base-Backbone interact. energy: -0.403 local terms energy: -120.838748 where: bonds (distance) C4'-P energy: -24.554 bonds (distance) P-C4' energy: -23.920 flat angles C4'-P-C4' energy: -24.605 flat angles P-C4'-P energy: -15.441 tors. eta vs tors. theta energy: -32.319 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: 259 Temperature: 0.950000 Total energy: -407.617479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.617479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.617479 (E_RNA) where: Base-Base interactions energy: -288.043 where: short stacking energy: -119.892 Base-Backbone interact. energy: -0.051 local terms energy: -119.523079 where: bonds (distance) C4'-P energy: -20.874 bonds (distance) P-C4' energy: -21.859 flat angles C4'-P-C4' energy: -26.658 flat angles P-C4'-P energy: -17.076 tors. eta vs tors. theta energy: -33.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -333.408873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.408873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.408873 (E_RNA) where: Base-Base interactions energy: -213.528 where: short stacking energy: -100.872 Base-Backbone interact. energy: -0.027 local terms energy: -119.853802 where: bonds (distance) C4'-P energy: -24.671 bonds (distance) P-C4' energy: -22.697 flat angles C4'-P-C4' energy: -24.888 flat angles P-C4'-P energy: -19.532 tors. eta vs tors. theta energy: -28.067 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: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -360.787794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.787794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.787794 (E_RNA) where: Base-Base interactions energy: -253.841 where: short stacking energy: -115.477 Base-Backbone interact. energy: -1.470 local terms energy: -105.476488 where: bonds (distance) C4'-P energy: -15.660 bonds (distance) P-C4' energy: -19.490 flat angles C4'-P-C4' energy: -22.333 flat angles P-C4'-P energy: -17.274 tors. eta vs tors. theta energy: -30.720 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: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -362.947329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.947329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.947329 (E_RNA) where: Base-Base interactions energy: -239.283 where: short stacking energy: -113.264 Base-Backbone interact. energy: -0.043 local terms energy: -123.621530 where: bonds (distance) C4'-P energy: -25.461 bonds (distance) P-C4' energy: -22.700 flat angles C4'-P-C4' energy: -26.306 flat angles P-C4'-P energy: -16.163 tors. eta vs tors. theta energy: -32.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -292.110315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.110315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.110315 (E_RNA) where: Base-Base interactions energy: -184.718 where: short stacking energy: -91.095 Base-Backbone interact. energy: -0.468 local terms energy: -106.924030 where: bonds (distance) C4'-P energy: -22.882 bonds (distance) P-C4' energy: -26.205 flat angles C4'-P-C4' energy: -21.292 flat angles P-C4'-P energy: -14.507 tors. eta vs tors. theta energy: -22.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -282.241141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.241141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.241141 (E_RNA) where: Base-Base interactions energy: -179.264 where: short stacking energy: -79.404 Base-Backbone interact. energy: -0.963 local terms energy: -102.014647 where: bonds (distance) C4'-P energy: -24.140 bonds (distance) P-C4' energy: -16.369 flat angles C4'-P-C4' energy: -22.872 flat angles P-C4'-P energy: -21.119 tors. eta vs tors. theta energy: -17.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -240.081692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.081692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.081692 (E_RNA) where: Base-Base interactions energy: -146.279 where: short stacking energy: -78.357 Base-Backbone interact. energy: -0.137 local terms energy: -93.665998 where: bonds (distance) C4'-P energy: -14.683 bonds (distance) P-C4' energy: -22.548 flat angles C4'-P-C4' energy: -27.039 flat angles P-C4'-P energy: -14.016 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -174.361315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.361315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.361315 (E_RNA) where: Base-Base interactions energy: -91.642 where: short stacking energy: -47.930 Base-Backbone interact. energy: -0.731 local terms energy: -81.987772 where: bonds (distance) C4'-P energy: -16.623 bonds (distance) P-C4' energy: -16.278 flat angles C4'-P-C4' energy: -22.973 flat angles P-C4'-P energy: -18.330 tors. eta vs tors. theta energy: -7.783 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: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -119.734302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.734302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.734302 (E_RNA) where: Base-Base interactions energy: -43.149 where: short stacking energy: -41.497 Base-Backbone interact. energy: -0.441 local terms energy: -76.144059 where: bonds (distance) C4'-P energy: -20.924 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -19.050 flat angles P-C4'-P energy: -13.553 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: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -407.774321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.774321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.774321 (E_RNA) where: Base-Base interactions energy: -294.308 where: short stacking energy: -119.281 Base-Backbone interact. energy: -0.064 local terms energy: -113.402503 where: bonds (distance) C4'-P energy: -17.414 bonds (distance) P-C4' energy: -22.781 flat angles C4'-P-C4' energy: -26.508 flat angles P-C4'-P energy: -11.950 tors. eta vs tors. theta energy: -34.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -391.790370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.790370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.790370 (E_RNA) where: Base-Base interactions energy: -272.682 where: short stacking energy: -128.581 Base-Backbone interact. energy: 1.138 local terms energy: -120.246394 where: bonds (distance) C4'-P energy: -20.747 bonds (distance) P-C4' energy: -23.123 flat angles C4'-P-C4' energy: -21.914 flat angles P-C4'-P energy: -21.375 tors. eta vs tors. theta energy: -33.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -375.683672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.683672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.683672 (E_RNA) where: Base-Base interactions energy: -251.211 where: short stacking energy: -111.381 Base-Backbone interact. energy: -2.001 local terms energy: -122.472013 where: bonds (distance) C4'-P energy: -22.124 bonds (distance) P-C4' energy: -23.354 flat angles C4'-P-C4' energy: -24.021 flat angles P-C4'-P energy: -21.673 tors. eta vs tors. theta energy: -31.300 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: 260 Temperature: 1.050000 Total energy: -329.443962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.443962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.443962 (E_RNA) where: Base-Base interactions energy: -205.810 where: short stacking energy: -97.592 Base-Backbone interact. energy: -0.378 local terms energy: -123.256395 where: bonds (distance) C4'-P energy: -24.074 bonds (distance) P-C4' energy: -26.174 flat angles C4'-P-C4' energy: -27.711 flat angles P-C4'-P energy: -18.241 tors. eta vs tors. theta energy: -27.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -344.682008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.682008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.682008 (E_RNA) where: Base-Base interactions energy: -232.823 where: short stacking energy: -104.143 Base-Backbone interact. energy: -0.498 local terms energy: -111.361348 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -24.390 flat angles C4'-P-C4' energy: -21.767 flat angles P-C4'-P energy: -16.855 tors. eta vs tors. theta energy: -31.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -265.199297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.199297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.199297 (E_RNA) where: Base-Base interactions energy: -171.740 where: short stacking energy: -74.362 Base-Backbone interact. energy: 0.010 local terms energy: -93.469900 where: bonds (distance) C4'-P energy: -19.819 bonds (distance) P-C4' energy: -18.953 flat angles C4'-P-C4' energy: -22.640 flat angles P-C4'-P energy: -14.286 tors. eta vs tors. theta energy: -17.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -243.842268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.842268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.842268 (E_RNA) where: Base-Base interactions energy: -163.892 where: short stacking energy: -77.160 Base-Backbone interact. energy: -1.155 local terms energy: -78.795338 where: bonds (distance) C4'-P energy: -21.243 bonds (distance) P-C4' energy: -18.121 flat angles C4'-P-C4' energy: -16.756 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -18.836 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: 260 Temperature: 1.250000 Total energy: -253.731093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.731093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.731093 (E_RNA) where: Base-Base interactions energy: -148.759 where: short stacking energy: -72.294 Base-Backbone interact. energy: -0.789 local terms energy: -104.182528 where: bonds (distance) C4'-P energy: -19.898 bonds (distance) P-C4' energy: -28.257 flat angles C4'-P-C4' energy: -20.160 flat angles P-C4'-P energy: -20.390 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -198.944098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.944098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.944098 (E_RNA) where: Base-Base interactions energy: -116.326 where: short stacking energy: -60.011 Base-Backbone interact. energy: -0.066 local terms energy: -82.551824 where: bonds (distance) C4'-P energy: -19.670 bonds (distance) P-C4' energy: -17.290 flat angles C4'-P-C4' energy: -22.539 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -12.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -115.369140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.369140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.369140 (E_RNA) where: Base-Base interactions energy: -44.309 where: short stacking energy: -44.309 Base-Backbone interact. energy: 0.429 local terms energy: -71.489073 where: bonds (distance) C4'-P energy: -11.199 bonds (distance) P-C4' energy: -24.793 flat angles C4'-P-C4' energy: -21.947 flat angles P-C4'-P energy: -12.326 tors. eta vs tors. theta energy: -1.225 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: 261 Temperature: 0.900000 Total energy: -423.247431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.247431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.247431 (E_RNA) where: Base-Base interactions energy: -300.486 where: short stacking energy: -129.979 Base-Backbone interact. energy: -0.014 local terms energy: -122.747486 where: bonds (distance) C4'-P energy: -22.088 bonds (distance) P-C4' energy: -24.651 flat angles C4'-P-C4' energy: -23.677 flat angles P-C4'-P energy: -17.244 tors. eta vs tors. theta energy: -35.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -399.448408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.448408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.448408 (E_RNA) where: Base-Base interactions energy: -275.109 where: short stacking energy: -120.083 Base-Backbone interact. energy: -1.810 local terms energy: -122.529292 where: bonds (distance) C4'-P energy: -23.906 bonds (distance) P-C4' energy: -21.791 flat angles C4'-P-C4' energy: -25.763 flat angles P-C4'-P energy: -13.050 tors. eta vs tors. theta energy: -38.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -355.028674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.028674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.028674 (E_RNA) where: Base-Base interactions energy: -246.051 where: short stacking energy: -114.491 Base-Backbone interact. energy: -0.122 local terms energy: -108.854966 where: bonds (distance) C4'-P energy: -21.992 bonds (distance) P-C4' energy: -22.325 flat angles C4'-P-C4' energy: -20.072 flat angles P-C4'-P energy: -18.737 tors. eta vs tors. theta energy: -25.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -349.891210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.891210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.891210 (E_RNA) where: Base-Base interactions energy: -224.481 where: short stacking energy: -103.027 Base-Backbone interact. energy: -0.911 local terms energy: -124.499000 where: bonds (distance) C4'-P energy: -21.644 bonds (distance) P-C4' energy: -28.192 flat angles C4'-P-C4' energy: -27.226 flat angles P-C4'-P energy: -19.971 tors. eta vs tors. theta energy: -27.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -339.493242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.493242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.493242 (E_RNA) where: Base-Base interactions energy: -220.604 where: short stacking energy: -101.147 Base-Backbone interact. energy: -0.881 local terms energy: -118.008827 where: bonds (distance) C4'-P energy: -21.288 bonds (distance) P-C4' energy: -21.388 flat angles C4'-P-C4' energy: -26.825 flat angles P-C4'-P energy: -15.769 tors. eta vs tors. theta energy: -32.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -260.451631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.451631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.451631 (E_RNA) where: Base-Base interactions energy: -156.502 where: short stacking energy: -92.134 Base-Backbone interact. energy: -0.713 local terms energy: -103.236396 where: bonds (distance) C4'-P energy: -17.259 bonds (distance) P-C4' energy: -20.988 flat angles C4'-P-C4' energy: -23.085 flat angles P-C4'-P energy: -19.083 tors. eta vs tors. theta energy: -22.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -232.060218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.060218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.060218 (E_RNA) where: Base-Base interactions energy: -137.855 where: short stacking energy: -59.599 Base-Backbone interact. energy: 0.749 local terms energy: -94.954559 where: bonds (distance) C4'-P energy: -25.001 bonds (distance) P-C4' energy: -27.658 flat angles C4'-P-C4' energy: -22.443 flat angles P-C4'-P energy: -12.768 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -239.141444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.141444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.141444 (E_RNA) where: Base-Base interactions energy: -142.628 where: short stacking energy: -67.301 Base-Backbone interact. energy: -0.136 local terms energy: -96.377102 where: bonds (distance) C4'-P energy: -24.092 bonds (distance) P-C4' energy: -21.912 flat angles C4'-P-C4' energy: -18.544 flat angles P-C4'-P energy: -15.757 tors. eta vs tors. theta energy: -16.072 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: 6 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -175.762267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.762267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.762267 (E_RNA) where: Base-Base interactions energy: -87.451 where: short stacking energy: -47.263 Base-Backbone interact. energy: 0.223 local terms energy: -88.534809 where: bonds (distance) C4'-P energy: -25.621 bonds (distance) P-C4' energy: -29.449 flat angles C4'-P-C4' energy: -21.554 flat angles P-C4'-P energy: -8.272 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: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -118.189002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.189002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.189002 (E_RNA) where: Base-Base interactions energy: -41.781 where: short stacking energy: -31.643 Base-Backbone interact. energy: -0.347 local terms energy: -76.060972 where: bonds (distance) C4'-P energy: -21.106 bonds (distance) P-C4' energy: -21.491 flat angles C4'-P-C4' energy: -18.464 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -436.116722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.116722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.116722 (E_RNA) where: Base-Base interactions energy: -304.915 where: short stacking energy: -123.914 Base-Backbone interact. energy: -0.155 local terms energy: -131.046209 where: bonds (distance) C4'-P energy: -25.121 bonds (distance) P-C4' energy: -26.353 flat angles C4'-P-C4' energy: -28.561 flat angles P-C4'-P energy: -13.424 tors. eta vs tors. theta energy: -37.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -407.312077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.312077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.312077 (E_RNA) where: Base-Base interactions energy: -272.310 where: short stacking energy: -123.544 Base-Backbone interact. energy: -1.860 local terms energy: -133.141659 where: bonds (distance) C4'-P energy: -26.185 bonds (distance) P-C4' energy: -24.851 flat angles C4'-P-C4' energy: -25.703 flat angles P-C4'-P energy: -21.264 tors. eta vs tors. theta energy: -35.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -361.880362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.880362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.880362 (E_RNA) where: Base-Base interactions energy: -243.301 where: short stacking energy: -106.017 Base-Backbone interact. energy: -0.030 local terms energy: -118.549515 where: bonds (distance) C4'-P energy: -24.824 bonds (distance) P-C4' energy: -22.720 flat angles C4'-P-C4' energy: -29.607 flat angles P-C4'-P energy: -11.585 tors. eta vs tors. theta energy: -29.814 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: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -353.003561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.003561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.003561 (E_RNA) where: Base-Base interactions energy: -235.938 where: short stacking energy: -105.339 Base-Backbone interact. energy: -1.366 local terms energy: -115.699637 where: bonds (distance) C4'-P energy: -23.590 bonds (distance) P-C4' energy: -19.624 flat angles C4'-P-C4' energy: -20.993 flat angles P-C4'-P energy: -20.851 tors. eta vs tors. theta energy: -30.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -341.830900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.830900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.830900 (E_RNA) where: Base-Base interactions energy: -223.720 where: short stacking energy: -111.695 Base-Backbone interact. energy: -1.017 local terms energy: -117.093352 where: bonds (distance) C4'-P energy: -23.753 bonds (distance) P-C4' energy: -16.575 flat angles C4'-P-C4' energy: -24.045 flat angles P-C4'-P energy: -18.852 tors. eta vs tors. theta energy: -33.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -265.547247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.547247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.547247 (E_RNA) where: Base-Base interactions energy: -168.158 where: short stacking energy: -81.171 Base-Backbone interact. energy: -0.259 local terms energy: -97.129777 where: bonds (distance) C4'-P energy: -20.025 bonds (distance) P-C4' energy: -24.545 flat angles C4'-P-C4' energy: -17.920 flat angles P-C4'-P energy: -16.943 tors. eta vs tors. theta energy: -17.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -237.067313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.067313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.067313 (E_RNA) where: Base-Base interactions energy: -148.428 where: short stacking energy: -65.985 Base-Backbone interact. energy: -1.178 local terms energy: -87.461648 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -23.209 flat angles C4'-P-C4' energy: -24.272 flat angles P-C4'-P energy: -16.719 tors. eta vs tors. theta energy: -11.624 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: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -247.861085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.861085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.861085 (E_RNA) where: Base-Base interactions energy: -158.765 where: short stacking energy: -70.034 Base-Backbone interact. energy: -0.130 local terms energy: -88.965931 where: bonds (distance) C4'-P energy: -17.711 bonds (distance) P-C4' energy: -26.547 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -20.743 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: 6 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -181.683398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.683398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.683398 (E_RNA) where: Base-Base interactions energy: -98.079 where: short stacking energy: -46.401 Base-Backbone interact. energy: -0.368 local terms energy: -83.236391 where: bonds (distance) C4'-P energy: -25.905 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -24.688 flat angles P-C4'-P energy: -17.250 tors. eta vs tors. theta energy: 0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -128.267342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.267342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.267342 (E_RNA) where: Base-Base interactions energy: -78.605 where: short stacking energy: -42.746 Base-Backbone interact. energy: -0.331 local terms energy: -49.331753 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -25.606 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -12.743 tors. eta vs tors. theta energy: -0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -420.347018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.347018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.347018 (E_RNA) where: Base-Base interactions energy: -293.944 where: short stacking energy: -119.558 Base-Backbone interact. energy: -0.014 local terms energy: -126.388365 where: bonds (distance) C4'-P energy: -23.354 bonds (distance) P-C4' energy: -27.082 flat angles C4'-P-C4' energy: -26.493 flat angles P-C4'-P energy: -15.837 tors. eta vs tors. theta energy: -33.622 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: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -370.219504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.219504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.219504 (E_RNA) where: Base-Base interactions energy: -265.959 where: short stacking energy: -107.580 Base-Backbone interact. energy: -0.105 local terms energy: -104.155969 where: bonds (distance) C4'-P energy: -20.237 bonds (distance) P-C4' energy: -24.643 flat angles C4'-P-C4' energy: -22.090 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -30.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -397.225379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.225379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.225379 (E_RNA) where: Base-Base interactions energy: -274.539 where: short stacking energy: -122.285 Base-Backbone interact. energy: -0.004 local terms energy: -122.681697 where: bonds (distance) C4'-P energy: -24.419 bonds (distance) P-C4' energy: -21.268 flat angles C4'-P-C4' energy: -25.947 flat angles P-C4'-P energy: -13.872 tors. eta vs tors. theta energy: -37.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -358.017770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.017770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.017770 (E_RNA) where: Base-Base interactions energy: -235.126 where: short stacking energy: -108.756 Base-Backbone interact. energy: -0.109 local terms energy: -122.783156 where: bonds (distance) C4'-P energy: -26.745 bonds (distance) P-C4' energy: -27.301 flat angles C4'-P-C4' energy: -19.054 flat angles P-C4'-P energy: -16.088 tors. eta vs tors. theta energy: -33.595 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: 9 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -367.894666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.894666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.894666 (E_RNA) where: Base-Base interactions energy: -245.604 where: short stacking energy: -116.125 Base-Backbone interact. energy: -0.027 local terms energy: -122.263826 where: bonds (distance) C4'-P energy: -28.045 bonds (distance) P-C4' energy: -19.135 flat angles C4'-P-C4' energy: -23.041 flat angles P-C4'-P energy: -18.249 tors. eta vs tors. theta energy: -33.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -249.752887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.752887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.752887 (E_RNA) where: Base-Base interactions energy: -153.839 where: short stacking energy: -75.566 Base-Backbone interact. energy: -0.282 local terms energy: -95.632339 where: bonds (distance) C4'-P energy: -16.768 bonds (distance) P-C4' energy: -18.437 flat angles C4'-P-C4' energy: -25.670 flat angles P-C4'-P energy: -17.427 tors. eta vs tors. theta energy: -17.331 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: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -247.371844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.371844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.371844 (E_RNA) where: Base-Base interactions energy: -152.215 where: short stacking energy: -64.981 Base-Backbone interact. energy: -0.342 local terms energy: -94.814981 where: bonds (distance) C4'-P energy: -21.910 bonds (distance) P-C4' energy: -22.687 flat angles C4'-P-C4' energy: -23.373 flat angles P-C4'-P energy: -12.343 tors. eta vs tors. theta energy: -14.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -225.489732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.489732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.489732 (E_RNA) where: Base-Base interactions energy: -133.937 where: short stacking energy: -53.616 Base-Backbone interact. energy: -0.283 local terms energy: -91.269938 where: bonds (distance) C4'-P energy: -26.787 bonds (distance) P-C4' energy: -21.679 flat angles C4'-P-C4' energy: -20.138 flat angles P-C4'-P energy: -13.311 tors. eta vs tors. theta energy: -9.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -237.095020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.095020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.095020 (E_RNA) where: Base-Base interactions energy: -148.352 where: short stacking energy: -79.422 Base-Backbone interact. energy: -0.628 local terms energy: -88.115074 where: bonds (distance) C4'-P energy: -17.734 bonds (distance) P-C4' energy: -22.600 flat angles C4'-P-C4' energy: -22.388 flat angles P-C4'-P energy: -10.976 tors. eta vs tors. theta energy: -14.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -142.808986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.808986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.808986 (E_RNA) where: Base-Base interactions energy: -79.933 where: short stacking energy: -42.849 Base-Backbone interact. energy: -0.386 local terms energy: -62.489589 where: bonds (distance) C4'-P energy: -15.820 bonds (distance) P-C4' energy: -17.124 flat angles C4'-P-C4' energy: -19.109 flat angles P-C4'-P energy: -7.533 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: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -416.831694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.831694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.831694 (E_RNA) where: Base-Base interactions energy: -297.104 where: short stacking energy: -117.234 Base-Backbone interact. energy: -0.095 local terms energy: -119.632117 where: bonds (distance) C4'-P energy: -24.028 bonds (distance) P-C4' energy: -24.796 flat angles C4'-P-C4' energy: -21.593 flat angles P-C4'-P energy: -16.908 tors. eta vs tors. theta energy: -32.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -365.945077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.945077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.945077 (E_RNA) where: Base-Base interactions energy: -250.295 where: short stacking energy: -110.528 Base-Backbone interact. energy: -0.595 local terms energy: -115.054849 where: bonds (distance) C4'-P energy: -25.901 bonds (distance) P-C4' energy: -21.206 flat angles C4'-P-C4' energy: -22.414 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -32.922 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: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -390.752607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.752607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.752607 (E_RNA) where: Base-Base interactions energy: -281.681 where: short stacking energy: -118.108 Base-Backbone interact. energy: 0.151 local terms energy: -109.222441 where: bonds (distance) C4'-P energy: -9.969 bonds (distance) P-C4' energy: -22.392 flat angles C4'-P-C4' energy: -23.556 flat angles P-C4'-P energy: -22.488 tors. eta vs tors. theta energy: -30.817 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: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -353.647372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.647372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.647372 (E_RNA) where: Base-Base interactions energy: -233.700 where: short stacking energy: -102.707 Base-Backbone interact. energy: -0.182 local terms energy: -119.765416 where: bonds (distance) C4'-P energy: -18.482 bonds (distance) P-C4' energy: -27.288 flat angles C4'-P-C4' energy: -25.543 flat angles P-C4'-P energy: -15.913 tors. eta vs tors. theta energy: -32.539 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: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -265.036176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.036176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.036176 (E_RNA) where: Base-Base interactions energy: -168.643 where: short stacking energy: -80.324 Base-Backbone interact. energy: -0.150 local terms energy: -96.243323 where: bonds (distance) C4'-P energy: -19.316 bonds (distance) P-C4' energy: -22.078 flat angles C4'-P-C4' energy: -23.184 flat angles P-C4'-P energy: -13.030 tors. eta vs tors. theta energy: -18.635 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: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -330.752265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.752265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.752265 (E_RNA) where: Base-Base interactions energy: -218.016 where: short stacking energy: -99.916 Base-Backbone interact. energy: -0.363 local terms energy: -112.372600 where: bonds (distance) C4'-P energy: -22.244 bonds (distance) P-C4' energy: -23.141 flat angles C4'-P-C4' energy: -24.780 flat angles P-C4'-P energy: -13.345 tors. eta vs tors. theta energy: -28.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -250.375829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.375829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.375829 (E_RNA) where: Base-Base interactions energy: -165.824 where: short stacking energy: -82.140 Base-Backbone interact. energy: -0.228 local terms energy: -84.323852 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -18.083 flat angles C4'-P-C4' energy: -24.544 flat angles P-C4'-P energy: -8.170 tors. eta vs tors. theta energy: -19.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -231.694443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.694443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.694443 (E_RNA) where: Base-Base interactions energy: -150.520 where: short stacking energy: -68.284 Base-Backbone interact. energy: -1.171 local terms energy: -80.004057 where: bonds (distance) C4'-P energy: -19.188 bonds (distance) P-C4' energy: -20.894 flat angles C4'-P-C4' energy: -19.483 flat angles P-C4'-P energy: -13.761 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -224.297182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.297182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.297182 (E_RNA) where: Base-Base interactions energy: -135.144 where: short stacking energy: -63.091 Base-Backbone interact. energy: 0.441 local terms energy: -89.593649 where: bonds (distance) C4'-P energy: -18.894 bonds (distance) P-C4' energy: -22.947 flat angles C4'-P-C4' energy: -23.990 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -14.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -122.334974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.334974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.334974 (E_RNA) where: Base-Base interactions energy: -59.752 where: short stacking energy: -32.160 Base-Backbone interact. energy: -0.295 local terms energy: -62.287586 where: bonds (distance) C4'-P energy: -20.519 bonds (distance) P-C4' energy: -18.202 flat angles C4'-P-C4' energy: -19.460 flat angles P-C4'-P energy: -2.038 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -412.483022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.483022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.483022 (E_RNA) where: Base-Base interactions energy: -288.368 where: short stacking energy: -117.988 Base-Backbone interact. energy: -0.088 local terms energy: -124.027592 where: bonds (distance) C4'-P energy: -23.897 bonds (distance) P-C4' energy: -23.883 flat angles C4'-P-C4' energy: -24.529 flat angles P-C4'-P energy: -15.384 tors. eta vs tors. theta energy: -36.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -376.596021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.596021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.596021 (E_RNA) where: Base-Base interactions energy: -271.792 where: short stacking energy: -106.099 Base-Backbone interact. energy: -0.132 local terms energy: -104.671858 where: bonds (distance) C4'-P energy: -21.276 bonds (distance) P-C4' energy: -23.736 flat angles C4'-P-C4' energy: -22.652 flat angles P-C4'-P energy: -11.784 tors. eta vs tors. theta energy: -25.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -384.107332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.107332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.107332 (E_RNA) where: Base-Base interactions energy: -266.521 where: short stacking energy: -119.427 Base-Backbone interact. energy: -1.003 local terms energy: -116.583703 where: bonds (distance) C4'-P energy: -19.228 bonds (distance) P-C4' energy: -18.533 flat angles C4'-P-C4' energy: -26.258 flat angles P-C4'-P energy: -17.735 tors. eta vs tors. theta energy: -34.829 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: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -358.932591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.932591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.932591 (E_RNA) where: Base-Base interactions energy: -242.039 where: short stacking energy: -120.675 Base-Backbone interact. energy: -0.360 local terms energy: -116.533032 where: bonds (distance) C4'-P energy: -15.332 bonds (distance) P-C4' energy: -25.072 flat angles C4'-P-C4' energy: -22.263 flat angles P-C4'-P energy: -15.197 tors. eta vs tors. theta energy: -38.669 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: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -250.879276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.879276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.879276 (E_RNA) where: Base-Base interactions energy: -153.368 where: short stacking energy: -73.537 Base-Backbone interact. energy: 0.376 local terms energy: -97.886590 where: bonds (distance) C4'-P energy: -18.585 bonds (distance) P-C4' energy: -27.548 flat angles C4'-P-C4' energy: -25.332 flat angles P-C4'-P energy: -13.725 tors. eta vs tors. theta energy: -12.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -347.377343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.377343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.377343 (E_RNA) where: Base-Base interactions energy: -241.353 where: short stacking energy: -97.461 Base-Backbone interact. energy: -0.245 local terms energy: -105.778887 where: bonds (distance) C4'-P energy: -23.973 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -26.027 flat angles P-C4'-P energy: -14.945 tors. eta vs tors. theta energy: -25.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -244.472984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.472984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.472984 (E_RNA) where: Base-Base interactions energy: -154.229 where: short stacking energy: -70.399 Base-Backbone interact. energy: 3.600 local terms energy: -93.843324 where: bonds (distance) C4'-P energy: -26.049 bonds (distance) P-C4' energy: -21.253 flat angles C4'-P-C4' energy: -18.102 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -18.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -241.006208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.006208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.006208 (E_RNA) where: Base-Base interactions energy: -161.363 where: short stacking energy: -78.368 Base-Backbone interact. energy: 0.133 local terms energy: -79.775806 where: bonds (distance) C4'-P energy: -24.882 bonds (distance) P-C4' energy: -16.819 flat angles C4'-P-C4' energy: -18.202 flat angles P-C4'-P energy: -7.463 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -196.551154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.551154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.551154 (E_RNA) where: Base-Base interactions energy: -106.119 where: short stacking energy: -61.157 Base-Backbone interact. energy: -0.343 local terms energy: -90.089673 where: bonds (distance) C4'-P energy: -24.125 bonds (distance) P-C4' energy: -20.706 flat angles C4'-P-C4' energy: -26.379 flat angles P-C4'-P energy: -12.367 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -114.818342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.818342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.818342 (E_RNA) where: Base-Base interactions energy: -36.850 where: short stacking energy: -33.265 Base-Backbone interact. energy: -0.265 local terms energy: -77.703257 where: bonds (distance) C4'-P energy: -20.663 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -24.411 flat angles P-C4'-P energy: -15.381 tors. eta vs tors. theta energy: 0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -417.524570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.524570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.524570 (E_RNA) where: Base-Base interactions energy: -300.775 where: short stacking energy: -125.368 Base-Backbone interact. energy: -0.229 local terms energy: -116.520008 where: bonds (distance) C4'-P energy: -23.668 bonds (distance) P-C4' energy: -18.823 flat angles C4'-P-C4' energy: -27.415 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -36.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -374.040752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.040752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.040752 (E_RNA) where: Base-Base interactions energy: -254.880 where: short stacking energy: -105.238 Base-Backbone interact. energy: 0.043 local terms energy: -119.204319 where: bonds (distance) C4'-P energy: -24.797 bonds (distance) P-C4' energy: -27.608 flat angles C4'-P-C4' energy: -24.446 flat angles P-C4'-P energy: -14.323 tors. eta vs tors. theta energy: -28.030 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: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -371.677393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.677393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.677393 (E_RNA) where: Base-Base interactions energy: -246.267 where: short stacking energy: -125.233 Base-Backbone interact. energy: -0.969 local terms energy: -124.441354 where: bonds (distance) C4'-P energy: -20.271 bonds (distance) P-C4' energy: -25.156 flat angles C4'-P-C4' energy: -25.511 flat angles P-C4'-P energy: -18.386 tors. eta vs tors. theta energy: -35.118 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: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -363.274402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.274402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.274402 (E_RNA) where: Base-Base interactions energy: -250.988 where: short stacking energy: -108.779 Base-Backbone interact. energy: -0.301 local terms energy: -111.984796 where: bonds (distance) C4'-P energy: -22.402 bonds (distance) P-C4' energy: -21.383 flat angles C4'-P-C4' energy: -21.476 flat angles P-C4'-P energy: -18.074 tors. eta vs tors. theta energy: -28.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -345.369530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.369530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.369530 (E_RNA) where: Base-Base interactions energy: -238.216 where: short stacking energy: -103.163 Base-Backbone interact. energy: -0.502 local terms energy: -106.650911 where: bonds (distance) C4'-P energy: -26.665 bonds (distance) P-C4' energy: -20.169 flat angles C4'-P-C4' energy: -23.192 flat angles P-C4'-P energy: -13.219 tors. eta vs tors. theta energy: -23.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -266.645411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.645411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.645411 (E_RNA) where: Base-Base interactions energy: -165.641 where: short stacking energy: -82.848 Base-Backbone interact. energy: -1.092 local terms energy: -99.912492 where: bonds (distance) C4'-P energy: -22.381 bonds (distance) P-C4' energy: -22.340 flat angles C4'-P-C4' energy: -21.487 flat angles P-C4'-P energy: -12.643 tors. eta vs tors. theta energy: -21.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -253.037139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.037139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.037139 (E_RNA) where: Base-Base interactions energy: -165.334 where: short stacking energy: -71.743 Base-Backbone interact. energy: -0.338 local terms energy: -87.365174 where: bonds (distance) C4'-P energy: -25.916 bonds (distance) P-C4' energy: -17.039 flat angles C4'-P-C4' energy: -19.085 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -14.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -239.510960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.510960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.510960 (E_RNA) where: Base-Base interactions energy: -146.952 where: short stacking energy: -67.962 Base-Backbone interact. energy: -0.059 local terms energy: -92.499716 where: bonds (distance) C4'-P energy: -23.633 bonds (distance) P-C4' energy: -25.554 flat angles C4'-P-C4' energy: -22.355 flat angles P-C4'-P energy: -7.093 tors. eta vs tors. theta energy: -13.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -195.330588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.330588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.330588 (E_RNA) where: Base-Base interactions energy: -100.733 where: short stacking energy: -53.636 Base-Backbone interact. energy: -0.673 local terms energy: -93.924705 where: bonds (distance) C4'-P energy: -23.323 bonds (distance) P-C4' energy: -23.732 flat angles C4'-P-C4' energy: -21.113 flat angles P-C4'-P energy: -19.290 tors. eta vs tors. theta energy: -6.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -124.221344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.221344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.221344 (E_RNA) where: Base-Base interactions energy: -52.367 where: short stacking energy: -42.329 Base-Backbone interact. energy: 0.969 local terms energy: -72.823251 where: bonds (distance) C4'-P energy: -25.768 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -19.175 flat angles P-C4'-P energy: -8.069 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: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -423.159413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.159413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.159413 (E_RNA) where: Base-Base interactions energy: -289.128 where: short stacking energy: -123.628 Base-Backbone interact. energy: -1.052 local terms energy: -132.978858 where: bonds (distance) C4'-P energy: -20.501 bonds (distance) P-C4' energy: -27.427 flat angles C4'-P-C4' energy: -24.291 flat angles P-C4'-P energy: -22.828 tors. eta vs tors. theta energy: -37.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -381.686018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.686018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.686018 (E_RNA) where: Base-Base interactions energy: -246.473 where: short stacking energy: -121.540 Base-Backbone interact. energy: -0.790 local terms energy: -134.422817 where: bonds (distance) C4'-P energy: -24.508 bonds (distance) P-C4' energy: -23.389 flat angles C4'-P-C4' energy: -27.565 flat angles P-C4'-P energy: -19.387 tors. eta vs tors. theta energy: -39.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -366.648351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.648351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.648351 (E_RNA) where: Base-Base interactions energy: -249.580 where: short stacking energy: -104.397 Base-Backbone interact. energy: -1.575 local terms energy: -115.494247 where: bonds (distance) C4'-P energy: -23.982 bonds (distance) P-C4' energy: -21.101 flat angles C4'-P-C4' energy: -25.823 flat angles P-C4'-P energy: -18.999 tors. eta vs tors. theta energy: -25.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -366.344805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.344805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.344805 (E_RNA) where: Base-Base interactions energy: -251.571 where: short stacking energy: -99.556 Base-Backbone interact. energy: -0.124 local terms energy: -114.649108 where: bonds (distance) C4'-P energy: -21.754 bonds (distance) P-C4' energy: -25.656 flat angles C4'-P-C4' energy: -23.140 flat angles P-C4'-P energy: -15.530 tors. eta vs tors. theta energy: -28.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -346.154007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.154007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.154007 (E_RNA) where: Base-Base interactions energy: -238.057 where: short stacking energy: -101.905 Base-Backbone interact. energy: -0.566 local terms energy: -107.531292 where: bonds (distance) C4'-P energy: -20.669 bonds (distance) P-C4' energy: -21.356 flat angles C4'-P-C4' energy: -23.756 flat angles P-C4'-P energy: -10.508 tors. eta vs tors. theta energy: -31.243 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: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -252.137805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.137805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.137805 (E_RNA) where: Base-Base interactions energy: -169.726 where: short stacking energy: -86.393 Base-Backbone interact. energy: -0.637 local terms energy: -81.775592 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -18.985 flat angles C4'-P-C4' energy: -21.646 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -17.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -237.725730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.725730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.725730 (E_RNA) where: Base-Base interactions energy: -150.403 where: short stacking energy: -74.361 Base-Backbone interact. energy: -0.862 local terms energy: -86.460447 where: bonds (distance) C4'-P energy: -16.783 bonds (distance) P-C4' energy: -26.097 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -14.360 tors. eta vs tors. theta energy: -14.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -240.422105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.422105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.422105 (E_RNA) where: Base-Base interactions energy: -153.932 where: short stacking energy: -63.196 Base-Backbone interact. energy: -0.356 local terms energy: -86.134343 where: bonds (distance) C4'-P energy: -18.448 bonds (distance) P-C4' energy: -26.064 flat angles C4'-P-C4' energy: -16.744 flat angles P-C4'-P energy: -13.799 tors. eta vs tors. theta energy: -11.080 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: 9, replica: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -180.453322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.453322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.453322 (E_RNA) where: Base-Base interactions energy: -101.163 where: short stacking energy: -51.958 Base-Backbone interact. energy: 0.891 local terms energy: -80.181641 where: bonds (distance) C4'-P energy: -22.070 bonds (distance) P-C4' energy: -22.133 flat angles C4'-P-C4' energy: -19.037 flat angles P-C4'-P energy: -13.375 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -137.994467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.994467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.994467 (E_RNA) where: Base-Base interactions energy: -57.313 where: short stacking energy: -52.579 Base-Backbone interact. energy: 0.139 local terms energy: -80.820660 where: bonds (distance) C4'-P energy: -20.488 bonds (distance) P-C4' energy: -24.442 flat angles C4'-P-C4' energy: -19.802 flat angles P-C4'-P energy: -10.313 tors. eta vs tors. theta energy: -5.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -410.522250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.522250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.522250 (E_RNA) where: Base-Base interactions energy: -280.281 where: short stacking energy: -124.096 Base-Backbone interact. energy: -1.162 local terms energy: -129.079287 where: bonds (distance) C4'-P energy: -20.506 bonds (distance) P-C4' energy: -24.007 flat angles C4'-P-C4' energy: -27.017 flat angles P-C4'-P energy: -18.114 tors. eta vs tors. theta energy: -39.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -365.244029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.244029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.244029 (E_RNA) where: Base-Base interactions energy: -247.361 where: short stacking energy: -124.337 Base-Backbone interact. energy: -0.083 local terms energy: -117.799907 where: bonds (distance) C4'-P energy: -22.159 bonds (distance) P-C4' energy: -24.859 flat angles C4'-P-C4' energy: -24.585 flat angles P-C4'-P energy: -13.519 tors. eta vs tors. theta energy: -32.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -386.888612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.888612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.888612 (E_RNA) where: Base-Base interactions energy: -268.821 where: short stacking energy: -110.252 Base-Backbone interact. energy: -0.455 local terms energy: -117.612645 where: bonds (distance) C4'-P energy: -23.419 bonds (distance) P-C4' energy: -27.868 flat angles C4'-P-C4' energy: -23.567 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -30.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -359.650509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.650509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.650509 (E_RNA) where: Base-Base interactions energy: -248.734 where: short stacking energy: -100.695 Base-Backbone interact. energy: -0.144 local terms energy: -110.772925 where: bonds (distance) C4'-P energy: -21.603 bonds (distance) P-C4' energy: -16.673 flat angles C4'-P-C4' energy: -27.168 flat angles P-C4'-P energy: -19.754 tors. eta vs tors. theta energy: -25.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -345.942906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.942906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.942906 (E_RNA) where: Base-Base interactions energy: -238.334 where: short stacking energy: -98.700 Base-Backbone interact. energy: -0.189 local terms energy: -107.419217 where: bonds (distance) C4'-P energy: -15.658 bonds (distance) P-C4' energy: -24.337 flat angles C4'-P-C4' energy: -23.705 flat angles P-C4'-P energy: -20.767 tors. eta vs tors. theta energy: -22.952 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: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -256.333670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.333670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.333670 (E_RNA) where: Base-Base interactions energy: -151.646 where: short stacking energy: -74.217 Base-Backbone interact. energy: -1.341 local terms energy: -103.346752 where: bonds (distance) C4'-P energy: -28.509 bonds (distance) P-C4' energy: -20.264 flat angles C4'-P-C4' energy: -19.947 flat angles P-C4'-P energy: -16.289 tors. eta vs tors. theta energy: -18.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -246.050083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.050083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.050083 (E_RNA) where: Base-Base interactions energy: -152.265 where: short stacking energy: -61.656 Base-Backbone interact. energy: -0.948 local terms energy: -92.837007 where: bonds (distance) C4'-P energy: -21.905 bonds (distance) P-C4' energy: -25.148 flat angles C4'-P-C4' energy: -23.641 flat angles P-C4'-P energy: -15.929 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: 8, replica: 8 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -250.940008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.940008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.940008 (E_RNA) where: Base-Base interactions energy: -157.457 where: short stacking energy: -79.516 Base-Backbone interact. energy: -2.306 local terms energy: -91.176682 where: bonds (distance) C4'-P energy: -17.780 bonds (distance) P-C4' energy: -24.180 flat angles C4'-P-C4' energy: -20.728 flat angles P-C4'-P energy: -15.530 tors. eta vs tors. theta energy: -12.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -199.607211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.607211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.607211 (E_RNA) where: Base-Base interactions energy: -138.370 where: short stacking energy: -67.806 Base-Backbone interact. energy: 0.637 local terms energy: -61.874511 where: bonds (distance) C4'-P energy: -7.733 bonds (distance) P-C4' energy: -22.476 flat angles C4'-P-C4' energy: -16.415 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -125.323346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.323346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.323346 (E_RNA) where: Base-Base interactions energy: -51.259 where: short stacking energy: -43.191 Base-Backbone interact. energy: -0.419 local terms energy: -73.645785 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -25.128 flat angles C4'-P-C4' energy: -17.130 flat angles P-C4'-P energy: -10.076 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -410.234758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.234758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.234758 (E_RNA) where: Base-Base interactions energy: -281.700 where: short stacking energy: -120.099 Base-Backbone interact. energy: -0.282 local terms energy: -128.251979 where: bonds (distance) C4'-P energy: -21.804 bonds (distance) P-C4' energy: -23.345 flat angles C4'-P-C4' energy: -23.196 flat angles P-C4'-P energy: -21.148 tors. eta vs tors. theta energy: -38.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -395.172480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.172480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.172480 (E_RNA) where: Base-Base interactions energy: -278.058 where: short stacking energy: -113.206 Base-Backbone interact. energy: -0.218 local terms energy: -116.895946 where: bonds (distance) C4'-P energy: -27.733 bonds (distance) P-C4' energy: -18.487 flat angles C4'-P-C4' energy: -23.861 flat angles P-C4'-P energy: -15.461 tors. eta vs tors. theta energy: -31.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -351.860591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.860591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.860591 (E_RNA) where: Base-Base interactions energy: -230.242 where: short stacking energy: -108.507 Base-Backbone interact. energy: 0.458 local terms energy: -122.076228 where: bonds (distance) C4'-P energy: -25.152 bonds (distance) P-C4' energy: -18.061 flat angles C4'-P-C4' energy: -23.514 flat angles P-C4'-P energy: -20.794 tors. eta vs tors. theta energy: -34.556 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: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -350.469022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.469022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.469022 (E_RNA) where: Base-Base interactions energy: -238.658 where: short stacking energy: -112.097 Base-Backbone interact. energy: -1.283 local terms energy: -110.528249 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -23.676 flat angles C4'-P-C4' energy: -25.853 flat angles P-C4'-P energy: -18.540 tors. eta vs tors. theta energy: -29.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -354.814667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.814667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.814667 (E_RNA) where: Base-Base interactions energy: -229.031 where: short stacking energy: -111.644 Base-Backbone interact. energy: -0.019 local terms energy: -125.764477 where: bonds (distance) C4'-P energy: -23.172 bonds (distance) P-C4' energy: -24.723 flat angles C4'-P-C4' energy: -23.643 flat angles P-C4'-P energy: -17.970 tors. eta vs tors. theta energy: -36.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -246.106993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.106993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.106993 (E_RNA) where: Base-Base interactions energy: -154.851 where: short stacking energy: -73.873 Base-Backbone interact. energy: -0.860 local terms energy: -90.395614 where: bonds (distance) C4'-P energy: -21.189 bonds (distance) P-C4' energy: -28.912 flat angles C4'-P-C4' energy: -22.549 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -247.840228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.840228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.840228 (E_RNA) where: Base-Base interactions energy: -150.248 where: short stacking energy: -74.370 Base-Backbone interact. energy: -0.138 local terms energy: -97.454990 where: bonds (distance) C4'-P energy: -22.050 bonds (distance) P-C4' energy: -18.737 flat angles C4'-P-C4' energy: -20.778 flat angles P-C4'-P energy: -17.255 tors. eta vs tors. theta energy: -18.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -249.725456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.725456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.725456 (E_RNA) where: Base-Base interactions energy: -158.212 where: short stacking energy: -75.528 Base-Backbone interact. energy: -0.268 local terms energy: -91.245232 where: bonds (distance) C4'-P energy: -22.220 bonds (distance) P-C4' energy: -19.398 flat angles C4'-P-C4' energy: -21.443 flat angles P-C4'-P energy: -20.544 tors. eta vs tors. theta energy: -7.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -191.675279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.675279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.675279 (E_RNA) where: Base-Base interactions energy: -118.827 where: short stacking energy: -60.900 Base-Backbone interact. energy: -0.185 local terms energy: -72.663784 where: bonds (distance) C4'-P energy: -19.197 bonds (distance) P-C4' energy: -21.807 flat angles C4'-P-C4' energy: -16.591 flat angles P-C4'-P energy: -11.057 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -128.255047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.255047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.255047 (E_RNA) where: Base-Base interactions energy: -58.644 where: short stacking energy: -49.562 Base-Backbone interact. energy: -0.514 local terms energy: -69.096777 where: bonds (distance) C4'-P energy: -16.348 bonds (distance) P-C4' energy: -15.164 flat angles C4'-P-C4' energy: -16.428 flat angles P-C4'-P energy: -15.363 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -408.525328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.525328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.525328 (E_RNA) where: Base-Base interactions energy: -275.634 where: short stacking energy: -124.420 Base-Backbone interact. energy: -0.666 local terms energy: -132.225598 where: bonds (distance) C4'-P energy: -23.380 bonds (distance) P-C4' energy: -26.683 flat angles C4'-P-C4' energy: -26.657 flat angles P-C4'-P energy: -18.999 tors. eta vs tors. theta energy: -36.506 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: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -375.752660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.752660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.752660 (E_RNA) where: Base-Base interactions energy: -260.676 where: short stacking energy: -105.405 Base-Backbone interact. energy: -0.053 local terms energy: -115.022754 where: bonds (distance) C4'-P energy: -24.987 bonds (distance) P-C4' energy: -21.912 flat angles C4'-P-C4' energy: -23.558 flat angles P-C4'-P energy: -16.179 tors. eta vs tors. theta energy: -28.388 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: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -374.749677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.749677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.749677 (E_RNA) where: Base-Base interactions energy: -257.029 where: short stacking energy: -103.540 Base-Backbone interact. energy: -1.523 local terms energy: -116.196992 where: bonds (distance) C4'-P energy: -22.584 bonds (distance) P-C4' energy: -22.982 flat angles C4'-P-C4' energy: -22.603 flat angles P-C4'-P energy: -17.739 tors. eta vs tors. theta energy: -30.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -341.465075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.465075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.465075 (E_RNA) where: Base-Base interactions energy: -228.955 where: short stacking energy: -108.693 Base-Backbone interact. energy: -0.768 local terms energy: -111.741927 where: bonds (distance) C4'-P energy: -24.262 bonds (distance) P-C4' energy: -22.386 flat angles C4'-P-C4' energy: -26.290 flat angles P-C4'-P energy: -15.530 tors. eta vs tors. theta energy: -23.275 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: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -331.585505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.585505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.585505 (E_RNA) where: Base-Base interactions energy: -231.037 where: short stacking energy: -92.938 Base-Backbone interact. energy: -0.115 local terms energy: -100.432929 where: bonds (distance) C4'-P energy: -21.586 bonds (distance) P-C4' energy: -17.319 flat angles C4'-P-C4' energy: -23.945 flat angles P-C4'-P energy: -15.514 tors. eta vs tors. theta energy: -22.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -268.288606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.288606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.288606 (E_RNA) where: Base-Base interactions energy: -175.781 where: short stacking energy: -83.352 Base-Backbone interact. energy: -0.115 local terms energy: -92.392760 where: bonds (distance) C4'-P energy: -17.273 bonds (distance) P-C4' energy: -27.012 flat angles C4'-P-C4' energy: -19.781 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -17.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -266.498565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.498565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.498565 (E_RNA) where: Base-Base interactions energy: -165.154 where: short stacking energy: -85.720 Base-Backbone interact. energy: -0.268 local terms energy: -101.076452 where: bonds (distance) C4'-P energy: -19.273 bonds (distance) P-C4' energy: -24.035 flat angles C4'-P-C4' energy: -19.270 flat angles P-C4'-P energy: -14.994 tors. eta vs tors. theta energy: -23.504 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: 270 Temperature: 1.250000 Total energy: -247.884370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.884370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.884370 (E_RNA) where: Base-Base interactions energy: -153.208 where: short stacking energy: -81.597 Base-Backbone interact. energy: -0.623 local terms energy: -94.053999 where: bonds (distance) C4'-P energy: -24.353 bonds (distance) P-C4' energy: -25.513 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -12.781 tors. eta vs tors. theta energy: -18.534 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: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -125.768208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.768208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.768208 (E_RNA) where: Base-Base interactions energy: -51.777 where: short stacking energy: -46.766 Base-Backbone interact. energy: 1.354 local terms energy: -75.344462 where: bonds (distance) C4'-P energy: -21.797 bonds (distance) P-C4' energy: -19.466 flat angles C4'-P-C4' energy: -23.286 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -193.049806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.049806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.049806 (E_RNA) where: Base-Base interactions energy: -119.278 where: short stacking energy: -61.677 Base-Backbone interact. energy: -0.760 local terms energy: -73.011994 where: bonds (distance) C4'-P energy: -19.549 bonds (distance) P-C4' energy: -22.850 flat angles C4'-P-C4' energy: -16.298 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -9.425 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: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -402.768779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.768779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.768779 (E_RNA) where: Base-Base interactions energy: -270.799 where: short stacking energy: -118.732 Base-Backbone interact. energy: -0.030 local terms energy: -131.939860 where: bonds (distance) C4'-P energy: -27.585 bonds (distance) P-C4' energy: -25.652 flat angles C4'-P-C4' energy: -28.874 flat angles P-C4'-P energy: -15.758 tors. eta vs tors. theta energy: -34.070 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: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -378.935452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.935452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.935452 (E_RNA) where: Base-Base interactions energy: -248.514 where: short stacking energy: -118.120 Base-Backbone interact. energy: -2.014 local terms energy: -128.407513 where: bonds (distance) C4'-P energy: -23.261 bonds (distance) P-C4' energy: -22.718 flat angles C4'-P-C4' energy: -27.980 flat angles P-C4'-P energy: -18.717 tors. eta vs tors. theta energy: -35.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -362.961487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.961487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.961487 (E_RNA) where: Base-Base interactions energy: -246.644 where: short stacking energy: -107.361 Base-Backbone interact. energy: -0.293 local terms energy: -116.024390 where: bonds (distance) C4'-P energy: -23.808 bonds (distance) P-C4' energy: -25.678 flat angles C4'-P-C4' energy: -22.246 flat angles P-C4'-P energy: -17.492 tors. eta vs tors. theta energy: -26.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -351.701874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.701874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.701874 (E_RNA) where: Base-Base interactions energy: -232.478 where: short stacking energy: -107.605 Base-Backbone interact. energy: -0.043 local terms energy: -119.180200 where: bonds (distance) C4'-P energy: -23.345 bonds (distance) P-C4' energy: -22.889 flat angles C4'-P-C4' energy: -24.474 flat angles P-C4'-P energy: -16.483 tors. eta vs tors. theta energy: -31.989 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: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -333.994182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.994182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.994182 (E_RNA) where: Base-Base interactions energy: -218.613 where: short stacking energy: -101.898 Base-Backbone interact. energy: -1.187 local terms energy: -114.193801 where: bonds (distance) C4'-P energy: -25.146 bonds (distance) P-C4' energy: -17.778 flat angles C4'-P-C4' energy: -25.471 flat angles P-C4'-P energy: -14.993 tors. eta vs tors. theta energy: -30.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -248.987154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.987154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.987154 (E_RNA) where: Base-Base interactions energy: -154.156 where: short stacking energy: -70.981 Base-Backbone interact. energy: -0.524 local terms energy: -94.306980 where: bonds (distance) C4'-P energy: -19.382 bonds (distance) P-C4' energy: -18.994 flat angles C4'-P-C4' energy: -25.107 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -13.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -246.939437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.939437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.939437 (E_RNA) where: Base-Base interactions energy: -156.163 where: short stacking energy: -70.325 Base-Backbone interact. energy: -0.964 local terms energy: -89.812217 where: bonds (distance) C4'-P energy: -21.204 bonds (distance) P-C4' energy: -21.142 flat angles C4'-P-C4' energy: -20.742 flat angles P-C4'-P energy: -15.933 tors. eta vs tors. theta energy: -10.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -239.802552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.802552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.802552 (E_RNA) where: Base-Base interactions energy: -150.224 where: short stacking energy: -71.687 Base-Backbone interact. energy: -0.265 local terms energy: -89.314011 where: bonds (distance) C4'-P energy: -16.371 bonds (distance) P-C4' energy: -25.317 flat angles C4'-P-C4' energy: -26.644 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -9.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -132.404633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.404633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.404633 (E_RNA) where: Base-Base interactions energy: -55.164 where: short stacking energy: -39.377 Base-Backbone interact. energy: -0.278 local terms energy: -76.963323 where: bonds (distance) C4'-P energy: -17.952 bonds (distance) P-C4' energy: -26.413 flat angles C4'-P-C4' energy: -19.166 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -197.735650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.735650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.735650 (E_RNA) where: Base-Base interactions energy: -111.729 where: short stacking energy: -60.674 Base-Backbone interact. energy: -0.529 local terms energy: -85.476757 where: bonds (distance) C4'-P energy: -19.558 bonds (distance) P-C4' energy: -22.237 flat angles C4'-P-C4' energy: -22.595 flat angles P-C4'-P energy: -10.837 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: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -402.337015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.337015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.337015 (E_RNA) where: Base-Base interactions energy: -272.362 where: short stacking energy: -123.444 Base-Backbone interact. energy: -0.473 local terms energy: -129.501860 where: bonds (distance) C4'-P energy: -22.909 bonds (distance) P-C4' energy: -24.788 flat angles C4'-P-C4' energy: -25.698 flat angles P-C4'-P energy: -18.722 tors. eta vs tors. theta energy: -37.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -388.774740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.774740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.774740 (E_RNA) where: Base-Base interactions energy: -250.928 where: short stacking energy: -117.941 Base-Backbone interact. energy: -0.720 local terms energy: -137.127592 where: bonds (distance) C4'-P energy: -22.593 bonds (distance) P-C4' energy: -30.294 flat angles C4'-P-C4' energy: -28.170 flat angles P-C4'-P energy: -22.877 tors. eta vs tors. theta energy: -33.194 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: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -372.214729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.214729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.214729 (E_RNA) where: Base-Base interactions energy: -258.952 where: short stacking energy: -108.919 Base-Backbone interact. energy: -0.586 local terms energy: -112.676942 where: bonds (distance) C4'-P energy: -19.880 bonds (distance) P-C4' energy: -21.513 flat angles C4'-P-C4' energy: -22.966 flat angles P-C4'-P energy: -17.883 tors. eta vs tors. theta energy: -30.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -349.810555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.810555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.810555 (E_RNA) where: Base-Base interactions energy: -238.031 where: short stacking energy: -92.316 Base-Backbone interact. energy: -0.299 local terms energy: -111.480483 where: bonds (distance) C4'-P energy: -23.176 bonds (distance) P-C4' energy: -25.640 flat angles C4'-P-C4' energy: -19.173 flat angles P-C4'-P energy: -17.948 tors. eta vs tors. theta energy: -25.543 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: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -336.036784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.036784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.036784 (E_RNA) where: Base-Base interactions energy: -223.812 where: short stacking energy: -113.378 Base-Backbone interact. energy: -0.959 local terms energy: -111.265273 where: bonds (distance) C4'-P energy: -17.318 bonds (distance) P-C4' energy: -15.619 flat angles C4'-P-C4' energy: -27.106 flat angles P-C4'-P energy: -15.072 tors. eta vs tors. theta energy: -36.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -249.705598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.705598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.705598 (E_RNA) where: Base-Base interactions energy: -159.729 where: short stacking energy: -64.971 Base-Backbone interact. energy: 0.145 local terms energy: -90.121020 where: bonds (distance) C4'-P energy: -17.203 bonds (distance) P-C4' energy: -19.696 flat angles C4'-P-C4' energy: -26.770 flat angles P-C4'-P energy: -16.822 tors. eta vs tors. theta energy: -9.631 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: 272 Temperature: 1.200000 Total energy: -247.698669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.698669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.698669 (E_RNA) where: Base-Base interactions energy: -163.932 where: short stacking energy: -79.170 Base-Backbone interact. energy: 0.024 local terms energy: -83.790536 where: bonds (distance) C4'-P energy: -15.754 bonds (distance) P-C4' energy: -20.658 flat angles C4'-P-C4' energy: -17.087 flat angles P-C4'-P energy: -15.308 tors. eta vs tors. theta energy: -14.983 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: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -256.471536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.471536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.471536 (E_RNA) where: Base-Base interactions energy: -163.916 where: short stacking energy: -80.167 Base-Backbone interact. energy: -0.529 local terms energy: -92.026758 where: bonds (distance) C4'-P energy: -15.744 bonds (distance) P-C4' energy: -21.328 flat angles C4'-P-C4' energy: -22.734 flat angles P-C4'-P energy: -15.181 tors. eta vs tors. theta energy: -17.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -181.481224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.481224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.481224 (E_RNA) where: Base-Base interactions energy: -103.145 where: short stacking energy: -58.434 Base-Backbone interact. energy: -1.135 local terms energy: -77.200830 where: bonds (distance) C4'-P energy: -19.331 bonds (distance) P-C4' energy: -22.615 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -12.301 tors. eta vs tors. theta energy: -9.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -124.080138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.080138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.080138 (E_RNA) where: Base-Base interactions energy: -53.079 where: short stacking energy: -34.053 Base-Backbone interact. energy: -0.154 local terms energy: -70.846248 where: bonds (distance) C4'-P energy: -16.461 bonds (distance) P-C4' energy: -23.254 flat angles C4'-P-C4' energy: -19.548 flat angles P-C4'-P energy: -10.249 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -389.955018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.955018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.955018 (E_RNA) where: Base-Base interactions energy: -258.035 where: short stacking energy: -122.350 Base-Backbone interact. energy: -0.667 local terms energy: -131.252507 where: bonds (distance) C4'-P energy: -26.533 bonds (distance) P-C4' energy: -25.883 flat angles C4'-P-C4' energy: -24.772 flat angles P-C4'-P energy: -15.864 tors. eta vs tors. theta energy: -38.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -368.385410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.385410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.385410 (E_RNA) where: Base-Base interactions energy: -249.829 where: short stacking energy: -103.773 Base-Backbone interact. energy: -0.595 local terms energy: -117.961349 where: bonds (distance) C4'-P energy: -24.064 bonds (distance) P-C4' energy: -26.655 flat angles C4'-P-C4' energy: -27.927 flat angles P-C4'-P energy: -11.929 tors. eta vs tors. theta energy: -27.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -384.370578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.370578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.370578 (E_RNA) where: Base-Base interactions energy: -263.609 where: short stacking energy: -118.336 Base-Backbone interact. energy: -1.204 local terms energy: -119.557573 where: bonds (distance) C4'-P energy: -18.018 bonds (distance) P-C4' energy: -27.952 flat angles C4'-P-C4' energy: -22.117 flat angles P-C4'-P energy: -19.960 tors. eta vs tors. theta energy: -31.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -358.560938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.560938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.560938 (E_RNA) where: Base-Base interactions energy: -232.096 where: short stacking energy: -119.099 Base-Backbone interact. energy: -0.164 local terms energy: -126.301790 where: bonds (distance) C4'-P energy: -24.066 bonds (distance) P-C4' energy: -21.926 flat angles C4'-P-C4' energy: -26.084 flat angles P-C4'-P energy: -18.391 tors. eta vs tors. theta energy: -35.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -343.403809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.403809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.403809 (E_RNA) where: Base-Base interactions energy: -234.847 where: short stacking energy: -113.330 Base-Backbone interact. energy: -0.282 local terms energy: -108.275062 where: bonds (distance) C4'-P energy: -18.962 bonds (distance) P-C4' energy: -21.166 flat angles C4'-P-C4' energy: -22.942 flat angles P-C4'-P energy: -14.335 tors. eta vs tors. theta energy: -30.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -257.770296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.770296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.770296 (E_RNA) where: Base-Base interactions energy: -165.227 where: short stacking energy: -67.752 Base-Backbone interact. energy: -0.797 local terms energy: -91.746037 where: bonds (distance) C4'-P energy: -18.224 bonds (distance) P-C4' energy: -21.195 flat angles C4'-P-C4' energy: -18.397 flat angles P-C4'-P energy: -18.103 tors. eta vs tors. theta energy: -15.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -245.828368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.828368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.828368 (E_RNA) where: Base-Base interactions energy: -155.198 where: short stacking energy: -79.350 Base-Backbone interact. energy: -0.456 local terms energy: -90.174779 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -23.678 flat angles C4'-P-C4' energy: -24.815 flat angles P-C4'-P energy: -12.751 tors. eta vs tors. theta energy: -16.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -247.680131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.680131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.680131 (E_RNA) where: Base-Base interactions energy: -152.734 where: short stacking energy: -71.508 Base-Backbone interact. energy: -1.111 local terms energy: -93.834378 where: bonds (distance) C4'-P energy: -21.006 bonds (distance) P-C4' energy: -19.851 flat angles C4'-P-C4' energy: -27.623 flat angles P-C4'-P energy: -11.253 tors. eta vs tors. theta energy: -14.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -187.580489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.580489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.580489 (E_RNA) where: Base-Base interactions energy: -109.246 where: short stacking energy: -62.322 Base-Backbone interact. energy: -0.884 local terms energy: -77.450519 where: bonds (distance) C4'-P energy: -23.554 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -20.383 flat angles P-C4'-P energy: -11.780 tors. eta vs tors. theta energy: -5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -121.600968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.600968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.600968 (E_RNA) where: Base-Base interactions energy: -61.654 where: short stacking energy: -44.427 Base-Backbone interact. energy: 3.203 local terms energy: -63.149475 where: bonds (distance) C4'-P energy: -21.896 bonds (distance) P-C4' energy: -14.647 flat angles C4'-P-C4' energy: -24.574 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: 3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -378.153859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.153859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.153859 (E_RNA) where: Base-Base interactions energy: -250.257 where: short stacking energy: -121.317 Base-Backbone interact. energy: -2.414 local terms energy: -125.482961 where: bonds (distance) C4'-P energy: -23.716 bonds (distance) P-C4' energy: -22.446 flat angles C4'-P-C4' energy: -25.707 flat angles P-C4'-P energy: -19.005 tors. eta vs tors. theta energy: -34.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -364.619024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.619024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.619024 (E_RNA) where: Base-Base interactions energy: -243.719 where: short stacking energy: -114.953 Base-Backbone interact. energy: -0.877 local terms energy: -120.022458 where: bonds (distance) C4'-P energy: -24.003 bonds (distance) P-C4' energy: -19.850 flat angles C4'-P-C4' energy: -24.953 flat angles P-C4'-P energy: -15.564 tors. eta vs tors. theta energy: -35.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -396.301443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.301443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.301443 (E_RNA) where: Base-Base interactions energy: -286.794 where: short stacking energy: -123.548 Base-Backbone interact. energy: -0.087 local terms energy: -109.420226 where: bonds (distance) C4'-P energy: -17.333 bonds (distance) P-C4' energy: -20.776 flat angles C4'-P-C4' energy: -23.257 flat angles P-C4'-P energy: -14.149 tors. eta vs tors. theta energy: -33.905 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: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -351.862324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.862324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.862324 (E_RNA) where: Base-Base interactions energy: -227.812 where: short stacking energy: -111.005 Base-Backbone interact. energy: -0.287 local terms energy: -123.763479 where: bonds (distance) C4'-P energy: -20.999 bonds (distance) P-C4' energy: -24.646 flat angles C4'-P-C4' energy: -25.425 flat angles P-C4'-P energy: -18.732 tors. eta vs tors. theta energy: -33.961 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: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -347.711041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.711041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.711041 (E_RNA) where: Base-Base interactions energy: -230.412 where: short stacking energy: -103.379 Base-Backbone interact. energy: 2.254 local terms energy: -119.552662 where: bonds (distance) C4'-P energy: -22.567 bonds (distance) P-C4' energy: -23.434 flat angles C4'-P-C4' energy: -23.972 flat angles P-C4'-P energy: -19.658 tors. eta vs tors. theta energy: -29.922 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: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -265.585750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.585750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.585750 (E_RNA) where: Base-Base interactions energy: -162.606 where: short stacking energy: -79.171 Base-Backbone interact. energy: -0.136 local terms energy: -102.844129 where: bonds (distance) C4'-P energy: -24.349 bonds (distance) P-C4' energy: -23.198 flat angles C4'-P-C4' energy: -22.521 flat angles P-C4'-P energy: -16.453 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -233.619711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.619711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.619711 (E_RNA) where: Base-Base interactions energy: -128.598 where: short stacking energy: -72.187 Base-Backbone interact. energy: -0.173 local terms energy: -104.848993 where: bonds (distance) C4'-P energy: -21.008 bonds (distance) P-C4' energy: -23.427 flat angles C4'-P-C4' energy: -21.735 flat angles P-C4'-P energy: -17.704 tors. eta vs tors. theta energy: -20.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -230.393631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.393631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.393631 (E_RNA) where: Base-Base interactions energy: -146.924 where: short stacking energy: -63.673 Base-Backbone interact. energy: -0.361 local terms energy: -83.109018 where: bonds (distance) C4'-P energy: -24.016 bonds (distance) P-C4' energy: -21.165 flat angles C4'-P-C4' energy: -19.777 flat angles P-C4'-P energy: -12.704 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -124.890430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.890430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.890430 (E_RNA) where: Base-Base interactions energy: -53.989 where: short stacking energy: -37.546 Base-Backbone interact. energy: -0.180 local terms energy: -70.720536 where: bonds (distance) C4'-P energy: -17.936 bonds (distance) P-C4' energy: -22.195 flat angles C4'-P-C4' energy: -17.706 flat angles P-C4'-P energy: -11.484 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -178.145601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.145601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.145601 (E_RNA) where: Base-Base interactions energy: -93.780 where: short stacking energy: -53.095 Base-Backbone interact. energy: -0.307 local terms energy: -84.059024 where: bonds (distance) C4'-P energy: -26.439 bonds (distance) P-C4' energy: -21.688 flat angles C4'-P-C4' energy: -20.020 flat angles P-C4'-P energy: -9.808 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: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -376.639719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.639719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.639719 (E_RNA) where: Base-Base interactions energy: -253.073 where: short stacking energy: -118.571 Base-Backbone interact. energy: -0.405 local terms energy: -123.161913 where: bonds (distance) C4'-P energy: -21.467 bonds (distance) P-C4' energy: -20.310 flat angles C4'-P-C4' energy: -26.895 flat angles P-C4'-P energy: -22.292 tors. eta vs tors. theta energy: -32.198 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: 2, replica: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -409.232678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.232678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.232678 (E_RNA) where: Base-Base interactions energy: -283.151 where: short stacking energy: -116.609 Base-Backbone interact. energy: -0.420 local terms energy: -125.661697 where: bonds (distance) C4'-P energy: -22.599 bonds (distance) P-C4' energy: -17.710 flat angles C4'-P-C4' energy: -27.847 flat angles P-C4'-P energy: -21.633 tors. eta vs tors. theta energy: -35.872 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: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -358.745415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.745415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.745415 (E_RNA) where: Base-Base interactions energy: -242.674 where: short stacking energy: -107.076 Base-Backbone interact. energy: 0.668 local terms energy: -116.739704 where: bonds (distance) C4'-P energy: -25.055 bonds (distance) P-C4' energy: -22.258 flat angles C4'-P-C4' energy: -24.660 flat angles P-C4'-P energy: -16.161 tors. eta vs tors. theta energy: -28.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -371.534232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.534232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.534232 (E_RNA) where: Base-Base interactions energy: -263.267 where: short stacking energy: -114.187 Base-Backbone interact. energy: -0.113 local terms energy: -108.153941 where: bonds (distance) C4'-P energy: -22.674 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -24.814 flat angles P-C4'-P energy: -12.030 tors. eta vs tors. theta energy: -35.146 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: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -349.970920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.970920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.970920 (E_RNA) where: Base-Base interactions energy: -227.892 where: short stacking energy: -110.741 Base-Backbone interact. energy: -0.487 local terms energy: -121.591512 where: bonds (distance) C4'-P energy: -22.444 bonds (distance) P-C4' energy: -23.544 flat angles C4'-P-C4' energy: -25.411 flat angles P-C4'-P energy: -20.931 tors. eta vs tors. theta energy: -29.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -265.064188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.064188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.064188 (E_RNA) where: Base-Base interactions energy: -156.442 where: short stacking energy: -79.298 Base-Backbone interact. energy: -0.167 local terms energy: -108.455347 where: bonds (distance) C4'-P energy: -22.206 bonds (distance) P-C4' energy: -26.129 flat angles C4'-P-C4' energy: -20.672 flat angles P-C4'-P energy: -19.136 tors. eta vs tors. theta energy: -20.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -264.629443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.629443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.629443 (E_RNA) where: Base-Base interactions energy: -169.706 where: short stacking energy: -82.565 Base-Backbone interact. energy: -0.514 local terms energy: -94.410349 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -16.857 flat angles C4'-P-C4' energy: -23.235 flat angles P-C4'-P energy: -19.783 tors. eta vs tors. theta energy: -22.764 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: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -231.531707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.531707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.531707 (E_RNA) where: Base-Base interactions energy: -151.943 where: short stacking energy: -68.463 Base-Backbone interact. energy: -0.092 local terms energy: -79.496900 where: bonds (distance) C4'-P energy: -16.094 bonds (distance) P-C4' energy: -24.842 flat angles C4'-P-C4' energy: -20.289 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -10.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -128.180115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.180115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.180115 (E_RNA) where: Base-Base interactions energy: -46.278 where: short stacking energy: -44.222 Base-Backbone interact. energy: -1.277 local terms energy: -80.624593 where: bonds (distance) C4'-P energy: -18.298 bonds (distance) P-C4' energy: -27.222 flat angles C4'-P-C4' energy: -16.509 flat angles P-C4'-P energy: -15.407 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -174.667967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.667967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.667967 (E_RNA) where: Base-Base interactions energy: -90.817 where: short stacking energy: -45.973 Base-Backbone interact. energy: -0.613 local terms energy: -83.238349 where: bonds (distance) C4'-P energy: -19.178 bonds (distance) P-C4' energy: -21.196 flat angles C4'-P-C4' energy: -21.873 flat angles P-C4'-P energy: -16.486 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -406.629987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.629987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.629987 (E_RNA) where: Base-Base interactions energy: -279.899 where: short stacking energy: -116.371 Base-Backbone interact. energy: -0.011 local terms energy: -126.720491 where: bonds (distance) C4'-P energy: -17.323 bonds (distance) P-C4' energy: -21.065 flat angles C4'-P-C4' energy: -30.376 flat angles P-C4'-P energy: -21.985 tors. eta vs tors. theta energy: -35.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -358.883158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.883158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.883158 (E_RNA) where: Base-Base interactions energy: -241.419 where: short stacking energy: -96.564 Base-Backbone interact. energy: -0.129 local terms energy: -117.335548 where: bonds (distance) C4'-P energy: -22.078 bonds (distance) P-C4' energy: -27.300 flat angles C4'-P-C4' energy: -24.320 flat angles P-C4'-P energy: -14.444 tors. eta vs tors. theta energy: -29.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -387.723655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.723655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.723655 (E_RNA) where: Base-Base interactions energy: -263.814 where: short stacking energy: -119.603 Base-Backbone interact. energy: -0.163 local terms energy: -123.747101 where: bonds (distance) C4'-P energy: -21.757 bonds (distance) P-C4' energy: -19.321 flat angles C4'-P-C4' energy: -28.115 flat angles P-C4'-P energy: -17.910 tors. eta vs tors. theta energy: -36.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -343.694082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.694082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.694082 (E_RNA) where: Base-Base interactions energy: -227.432 where: short stacking energy: -97.041 Base-Backbone interact. energy: -0.306 local terms energy: -115.955745 where: bonds (distance) C4'-P energy: -23.307 bonds (distance) P-C4' energy: -25.126 flat angles C4'-P-C4' energy: -26.690 flat angles P-C4'-P energy: -16.865 tors. eta vs tors. theta energy: -23.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -344.615866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.615866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.615866 (E_RNA) where: Base-Base interactions energy: -225.905 where: short stacking energy: -111.807 Base-Backbone interact. energy: -0.271 local terms energy: -118.440013 where: bonds (distance) C4'-P energy: -17.811 bonds (distance) P-C4' energy: -22.104 flat angles C4'-P-C4' energy: -25.544 flat angles P-C4'-P energy: -14.133 tors. eta vs tors. theta energy: -38.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -257.943650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.943650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.943650 (E_RNA) where: Base-Base interactions energy: -160.608 where: short stacking energy: -78.690 Base-Backbone interact. energy: -0.071 local terms energy: -97.264945 where: bonds (distance) C4'-P energy: -22.119 bonds (distance) P-C4' energy: -20.100 flat angles C4'-P-C4' energy: -25.466 flat angles P-C4'-P energy: -17.598 tors. eta vs tors. theta energy: -11.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -274.493023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.493023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.493023 (E_RNA) where: Base-Base interactions energy: -166.678 where: short stacking energy: -91.016 Base-Backbone interact. energy: -0.190 local terms energy: -107.625038 where: bonds (distance) C4'-P energy: -22.808 bonds (distance) P-C4' energy: -26.959 flat angles C4'-P-C4' energy: -21.733 flat angles P-C4'-P energy: -15.434 tors. eta vs tors. theta energy: -20.691 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: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -250.257877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.257877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.257877 (E_RNA) where: Base-Base interactions energy: -147.685 where: short stacking energy: -67.658 Base-Backbone interact. energy: -0.250 local terms energy: -102.322985 where: bonds (distance) C4'-P energy: -26.297 bonds (distance) P-C4' energy: -22.692 flat angles C4'-P-C4' energy: -27.477 flat angles P-C4'-P energy: -16.334 tors. eta vs tors. theta energy: -9.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -187.858205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.858205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.858205 (E_RNA) where: Base-Base interactions energy: -107.153 where: short stacking energy: -51.136 Base-Backbone interact. energy: 0.649 local terms energy: -81.354453 where: bonds (distance) C4'-P energy: -23.155 bonds (distance) P-C4' energy: -21.833 flat angles C4'-P-C4' energy: -17.963 flat angles P-C4'-P energy: -17.596 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -129.001594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.001594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.001594 (E_RNA) where: Base-Base interactions energy: -50.622 where: short stacking energy: -35.165 Base-Backbone interact. energy: 1.529 local terms energy: -79.907816 where: bonds (distance) C4'-P energy: -15.245 bonds (distance) P-C4' energy: -19.604 flat angles C4'-P-C4' energy: -21.086 flat angles P-C4'-P energy: -14.704 tors. eta vs tors. theta energy: -9.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -415.146162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.146162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.146162 (E_RNA) where: Base-Base interactions energy: -276.182 where: short stacking energy: -128.903 Base-Backbone interact. energy: -0.316 local terms energy: -138.647318 where: bonds (distance) C4'-P energy: -26.480 bonds (distance) P-C4' energy: -26.166 flat angles C4'-P-C4' energy: -27.263 flat angles P-C4'-P energy: -19.277 tors. eta vs tors. theta energy: -39.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -379.991496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.991496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.991496 (E_RNA) where: Base-Base interactions energy: -263.517 where: short stacking energy: -117.193 Base-Backbone interact. energy: -0.386 local terms energy: -116.088786 where: bonds (distance) C4'-P energy: -25.113 bonds (distance) P-C4' energy: -25.631 flat angles C4'-P-C4' energy: -24.365 flat angles P-C4'-P energy: -10.774 tors. eta vs tors. theta energy: -30.205 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: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -387.854932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.854932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.854932 (E_RNA) where: Base-Base interactions energy: -259.918 where: short stacking energy: -113.300 Base-Backbone interact. energy: -0.873 local terms energy: -127.063806 where: bonds (distance) C4'-P energy: -25.876 bonds (distance) P-C4' energy: -20.572 flat angles C4'-P-C4' energy: -24.864 flat angles P-C4'-P energy: -21.571 tors. eta vs tors. theta energy: -34.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -349.618309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.618309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.618309 (E_RNA) where: Base-Base interactions energy: -226.057 where: short stacking energy: -107.231 Base-Backbone interact. energy: 0.062 local terms energy: -123.622921 where: bonds (distance) C4'-P energy: -18.734 bonds (distance) P-C4' energy: -24.740 flat angles C4'-P-C4' energy: -29.555 flat angles P-C4'-P energy: -18.298 tors. eta vs tors. theta energy: -32.296 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: 9 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -334.041068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.041068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.041068 (E_RNA) where: Base-Base interactions energy: -217.213 where: short stacking energy: -101.613 Base-Backbone interact. energy: -0.510 local terms energy: -116.318157 where: bonds (distance) C4'-P energy: -19.322 bonds (distance) P-C4' energy: -25.163 flat angles C4'-P-C4' energy: -26.720 flat angles P-C4'-P energy: -14.715 tors. eta vs tors. theta energy: -30.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -263.449522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.449522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.449522 (E_RNA) where: Base-Base interactions energy: -170.887 where: short stacking energy: -81.774 Base-Backbone interact. energy: -0.524 local terms energy: -92.038142 where: bonds (distance) C4'-P energy: -17.703 bonds (distance) P-C4' energy: -19.686 flat angles C4'-P-C4' energy: -25.230 flat angles P-C4'-P energy: -13.777 tors. eta vs tors. theta energy: -15.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -253.736748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.736748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.736748 (E_RNA) where: Base-Base interactions energy: -163.658 where: short stacking energy: -77.158 Base-Backbone interact. energy: -0.112 local terms energy: -89.965954 where: bonds (distance) C4'-P energy: -16.961 bonds (distance) P-C4' energy: -22.108 flat angles C4'-P-C4' energy: -19.799 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -21.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -237.667148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.667148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.667148 (E_RNA) where: Base-Base interactions energy: -147.495 where: short stacking energy: -70.225 Base-Backbone interact. energy: -0.377 local terms energy: -89.795106 where: bonds (distance) C4'-P energy: -19.574 bonds (distance) P-C4' energy: -20.676 flat angles C4'-P-C4' energy: -22.665 flat angles P-C4'-P energy: -13.683 tors. eta vs tors. theta energy: -13.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -186.026075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.026075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.026075 (E_RNA) where: Base-Base interactions energy: -105.393 where: short stacking energy: -60.735 Base-Backbone interact. energy: -0.865 local terms energy: -79.767843 where: bonds (distance) C4'-P energy: -18.284 bonds (distance) P-C4' energy: -16.152 flat angles C4'-P-C4' energy: -19.301 flat angles P-C4'-P energy: -19.034 tors. eta vs tors. theta energy: -6.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -130.025731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.025731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.025731 (E_RNA) where: Base-Base interactions energy: -41.467 where: short stacking energy: -41.467 Base-Backbone interact. energy: -0.421 local terms energy: -88.138119 where: bonds (distance) C4'-P energy: -18.924 bonds (distance) P-C4' energy: -26.005 flat angles C4'-P-C4' energy: -20.472 flat angles P-C4'-P energy: -12.790 tors. eta vs tors. theta energy: -9.947 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: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -407.478563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.478563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.478563 (E_RNA) where: Base-Base interactions energy: -282.485 where: short stacking energy: -117.509 Base-Backbone interact. energy: -0.133 local terms energy: -124.860495 where: bonds (distance) C4'-P energy: -26.280 bonds (distance) P-C4' energy: -25.561 flat angles C4'-P-C4' energy: -20.508 flat angles P-C4'-P energy: -13.947 tors. eta vs tors. theta energy: -38.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -368.334531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.334531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.334531 (E_RNA) where: Base-Base interactions energy: -256.485 where: short stacking energy: -103.170 Base-Backbone interact. energy: -0.187 local terms energy: -111.662815 where: bonds (distance) C4'-P energy: -19.125 bonds (distance) P-C4' energy: -26.104 flat angles C4'-P-C4' energy: -25.381 flat angles P-C4'-P energy: -13.859 tors. eta vs tors. theta energy: -27.194 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: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -388.995244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.995244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.995244 (E_RNA) where: Base-Base interactions energy: -268.628 where: short stacking energy: -114.062 Base-Backbone interact. energy: -0.317 local terms energy: -120.049879 where: bonds (distance) C4'-P energy: -16.246 bonds (distance) P-C4' energy: -20.863 flat angles C4'-P-C4' energy: -27.346 flat angles P-C4'-P energy: -18.584 tors. eta vs tors. theta energy: -37.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -338.555328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.555328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.555328 (E_RNA) where: Base-Base interactions energy: -226.137 where: short stacking energy: -106.296 Base-Backbone interact. energy: -0.070 local terms energy: -112.347757 where: bonds (distance) C4'-P energy: -19.902 bonds (distance) P-C4' energy: -26.120 flat angles C4'-P-C4' energy: -24.176 flat angles P-C4'-P energy: -17.095 tors. eta vs tors. theta energy: -25.055 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: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -340.788199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.788199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.788199 (E_RNA) where: Base-Base interactions energy: -225.573 where: short stacking energy: -101.486 Base-Backbone interact. energy: -0.340 local terms energy: -114.874642 where: bonds (distance) C4'-P energy: -18.659 bonds (distance) P-C4' energy: -25.096 flat angles C4'-P-C4' energy: -25.377 flat angles P-C4'-P energy: -19.794 tors. eta vs tors. theta energy: -25.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -262.957330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.957330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.957330 (E_RNA) where: Base-Base interactions energy: -174.869 where: short stacking energy: -91.634 Base-Backbone interact. energy: -0.522 local terms energy: -87.566164 where: bonds (distance) C4'-P energy: -21.120 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -23.294 flat angles P-C4'-P energy: -11.648 tors. eta vs tors. theta energy: -16.389 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: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -247.917055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.917055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.917055 (E_RNA) where: Base-Base interactions energy: -156.218 where: short stacking energy: -61.142 Base-Backbone interact. energy: -0.561 local terms energy: -91.138083 where: bonds (distance) C4'-P energy: -23.491 bonds (distance) P-C4' energy: -23.163 flat angles C4'-P-C4' energy: -21.890 flat angles P-C4'-P energy: -15.823 tors. eta vs tors. theta energy: -6.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -202.327113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.327113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.327113 (E_RNA) where: Base-Base interactions energy: -121.400 where: short stacking energy: -61.621 Base-Backbone interact. energy: 0.342 local terms energy: -81.268646 where: bonds (distance) C4'-P energy: -19.276 bonds (distance) P-C4' energy: -20.427 flat angles C4'-P-C4' energy: -19.094 flat angles P-C4'-P energy: -13.984 tors. eta vs tors. theta energy: -8.488 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: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -184.192151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.192151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.192151 (E_RNA) where: Base-Base interactions energy: -103.767 where: short stacking energy: -60.014 Base-Backbone interact. energy: -0.147 local terms energy: -80.278173 where: bonds (distance) C4'-P energy: -15.033 bonds (distance) P-C4' energy: -24.700 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -14.320 tors. eta vs tors. theta energy: -12.741 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: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -114.679630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.679630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.679630 (E_RNA) where: Base-Base interactions energy: -46.768 where: short stacking energy: -38.139 Base-Backbone interact. energy: -1.117 local terms energy: -66.794707 where: bonds (distance) C4'-P energy: -16.081 bonds (distance) P-C4' energy: -25.045 flat angles C4'-P-C4' energy: -14.550 flat angles P-C4'-P energy: -9.503 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: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -394.965131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.965131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.965131 (E_RNA) where: Base-Base interactions energy: -268.612 where: short stacking energy: -119.396 Base-Backbone interact. energy: -0.125 local terms energy: -126.227992 where: bonds (distance) C4'-P energy: -25.080 bonds (distance) P-C4' energy: -26.771 flat angles C4'-P-C4' energy: -26.439 flat angles P-C4'-P energy: -15.240 tors. eta vs tors. theta energy: -32.698 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: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -404.723495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.723495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.723495 (E_RNA) where: Base-Base interactions energy: -272.087 where: short stacking energy: -119.181 Base-Backbone interact. energy: -1.703 local terms energy: -130.933433 where: bonds (distance) C4'-P energy: -22.149 bonds (distance) P-C4' energy: -28.601 flat angles C4'-P-C4' energy: -24.086 flat angles P-C4'-P energy: -17.928 tors. eta vs tors. theta energy: -38.169 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: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -368.348550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.348550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.348550 (E_RNA) where: Base-Base interactions energy: -242.799 where: short stacking energy: -104.340 Base-Backbone interact. energy: -0.246 local terms energy: -125.302959 where: bonds (distance) C4'-P energy: -25.834 bonds (distance) P-C4' energy: -28.386 flat angles C4'-P-C4' energy: -23.665 flat angles P-C4'-P energy: -20.553 tors. eta vs tors. theta energy: -26.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -380.997258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.997258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.997258 (E_RNA) where: Base-Base interactions energy: -262.237 where: short stacking energy: -113.394 Base-Backbone interact. energy: -0.279 local terms energy: -118.480961 where: bonds (distance) C4'-P energy: -22.714 bonds (distance) P-C4' energy: -26.825 flat angles C4'-P-C4' energy: -17.399 flat angles P-C4'-P energy: -18.411 tors. eta vs tors. theta energy: -33.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -332.586491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.586491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.586491 (E_RNA) where: Base-Base interactions energy: -227.927 where: short stacking energy: -111.325 Base-Backbone interact. energy: 1.224 local terms energy: -105.883840 where: bonds (distance) C4'-P energy: -19.560 bonds (distance) P-C4' energy: -26.931 flat angles C4'-P-C4' energy: -25.713 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -30.531 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: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -306.823051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.823051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.823051 (E_RNA) where: Base-Base interactions energy: -197.603 where: short stacking energy: -88.255 Base-Backbone interact. energy: -0.912 local terms energy: -108.307881 where: bonds (distance) C4'-P energy: -23.020 bonds (distance) P-C4' energy: -24.598 flat angles C4'-P-C4' energy: -19.802 flat angles P-C4'-P energy: -21.704 tors. eta vs tors. theta energy: -19.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -242.953437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.953437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.953437 (E_RNA) where: Base-Base interactions energy: -157.123 where: short stacking energy: -74.109 Base-Backbone interact. energy: -0.342 local terms energy: -85.488560 where: bonds (distance) C4'-P energy: -18.133 bonds (distance) P-C4' energy: -20.036 flat angles C4'-P-C4' energy: -20.413 flat angles P-C4'-P energy: -12.024 tors. eta vs tors. theta energy: -14.882 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: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -215.105127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.105127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.105127 (E_RNA) where: Base-Base interactions energy: -117.759 where: short stacking energy: -77.134 Base-Backbone interact. energy: -0.187 local terms energy: -97.159163 where: bonds (distance) C4'-P energy: -16.452 bonds (distance) P-C4' energy: -23.429 flat angles C4'-P-C4' energy: -25.654 flat angles P-C4'-P energy: -15.579 tors. eta vs tors. theta energy: -16.046 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: 8 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -196.213315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.213315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.213315 (E_RNA) where: Base-Base interactions energy: -109.659 where: short stacking energy: -54.049 Base-Backbone interact. energy: -0.742 local terms energy: -85.812250 where: bonds (distance) C4'-P energy: -20.068 bonds (distance) P-C4' energy: -15.964 flat angles C4'-P-C4' energy: -21.324 flat angles P-C4'-P energy: -18.360 tors. eta vs tors. theta energy: -10.098 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: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -129.736667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.736667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.736667 (E_RNA) where: Base-Base interactions energy: -68.939 where: short stacking energy: -42.137 Base-Backbone interact. energy: -1.184 local terms energy: -59.613394 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -20.177 flat angles C4'-P-C4' energy: -21.108 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: 0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -413.599817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.599817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.599817 (E_RNA) where: Base-Base interactions energy: -282.975 where: short stacking energy: -120.693 Base-Backbone interact. energy: -0.382 local terms energy: -130.242597 where: bonds (distance) C4'-P energy: -21.736 bonds (distance) P-C4' energy: -30.179 flat angles C4'-P-C4' energy: -28.584 flat angles P-C4'-P energy: -12.085 tors. eta vs tors. theta energy: -37.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -395.499075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.499075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.499075 (E_RNA) where: Base-Base interactions energy: -268.543 where: short stacking energy: -110.612 Base-Backbone interact. energy: -0.132 local terms energy: -126.824133 where: bonds (distance) C4'-P energy: -23.181 bonds (distance) P-C4' energy: -23.082 flat angles C4'-P-C4' energy: -28.707 flat angles P-C4'-P energy: -17.359 tors. eta vs tors. theta energy: -34.495 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: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -354.653361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.653361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.653361 (E_RNA) where: Base-Base interactions energy: -240.024 where: short stacking energy: -102.235 Base-Backbone interact. energy: -0.160 local terms energy: -114.469183 where: bonds (distance) C4'-P energy: -22.100 bonds (distance) P-C4' energy: -22.241 flat angles C4'-P-C4' energy: -27.834 flat angles P-C4'-P energy: -15.327 tors. eta vs tors. theta energy: -26.966 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: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -371.963218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.963218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.963218 (E_RNA) where: Base-Base interactions energy: -261.176 where: short stacking energy: -106.289 Base-Backbone interact. energy: -0.770 local terms energy: -110.017488 where: bonds (distance) C4'-P energy: -18.913 bonds (distance) P-C4' energy: -24.760 flat angles C4'-P-C4' energy: -21.334 flat angles P-C4'-P energy: -15.511 tors. eta vs tors. theta energy: -29.499 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: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -354.193672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.193672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.193672 (E_RNA) where: Base-Base interactions energy: -235.989 where: short stacking energy: -116.333 Base-Backbone interact. energy: -1.012 local terms energy: -117.192709 where: bonds (distance) C4'-P energy: -22.289 bonds (distance) P-C4' energy: -20.798 flat angles C4'-P-C4' energy: -26.130 flat angles P-C4'-P energy: -14.152 tors. eta vs tors. theta energy: -33.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -286.172924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.172924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.172924 (E_RNA) where: Base-Base interactions energy: -201.774 where: short stacking energy: -89.557 Base-Backbone interact. energy: -0.582 local terms energy: -83.816025 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -16.211 flat angles C4'-P-C4' energy: -21.416 flat angles P-C4'-P energy: -13.744 tors. eta vs tors. theta energy: -19.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -213.400671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.400671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.400671 (E_RNA) where: Base-Base interactions energy: -126.619 where: short stacking energy: -67.490 Base-Backbone interact. energy: 0.289 local terms energy: -87.070232 where: bonds (distance) C4'-P energy: -13.779 bonds (distance) P-C4' energy: -24.996 flat angles C4'-P-C4' energy: -15.364 flat angles P-C4'-P energy: -17.361 tors. eta vs tors. theta energy: -15.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -253.342324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.342324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.342324 (E_RNA) where: Base-Base interactions energy: -152.904 where: short stacking energy: -71.584 Base-Backbone interact. energy: -0.501 local terms energy: -99.937192 where: bonds (distance) C4'-P energy: -27.609 bonds (distance) P-C4' energy: -22.790 flat angles C4'-P-C4' energy: -19.655 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -19.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -148.475679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.475679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.475679 (E_RNA) where: Base-Base interactions energy: -64.198 where: short stacking energy: -45.387 Base-Backbone interact. energy: 0.379 local terms energy: -84.656691 where: bonds (distance) C4'-P energy: -17.928 bonds (distance) P-C4' energy: -19.495 flat angles C4'-P-C4' energy: -21.480 flat angles P-C4'-P energy: -17.590 tors. eta vs tors. theta energy: -8.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -165.919932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.919932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.919932 (E_RNA) where: Base-Base interactions energy: -99.289 where: short stacking energy: -56.583 Base-Backbone interact. energy: -0.495 local terms energy: -66.135430 where: bonds (distance) C4'-P energy: -20.431 bonds (distance) P-C4' energy: -13.438 flat angles C4'-P-C4' energy: -18.432 flat angles P-C4'-P energy: -9.648 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: 281 Temperature: 0.900000 Total energy: -413.005005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.005005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.005005 (E_RNA) where: Base-Base interactions energy: -278.692 where: short stacking energy: -118.296 Base-Backbone interact. energy: -0.510 local terms energy: -133.803688 where: bonds (distance) C4'-P energy: -24.447 bonds (distance) P-C4' energy: -29.228 flat angles C4'-P-C4' energy: -25.047 flat angles P-C4'-P energy: -15.228 tors. eta vs tors. theta energy: -39.854 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: 281 Temperature: 0.950000 Total energy: -379.250183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.250183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.250183 (E_RNA) where: Base-Base interactions energy: -259.815 where: short stacking energy: -104.136 Base-Backbone interact. energy: -0.302 local terms energy: -119.132478 where: bonds (distance) C4'-P energy: -23.230 bonds (distance) P-C4' energy: -23.400 flat angles C4'-P-C4' energy: -27.242 flat angles P-C4'-P energy: -15.481 tors. eta vs tors. theta energy: -29.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -363.625339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.625339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.625339 (E_RNA) where: Base-Base interactions energy: -238.671 where: short stacking energy: -103.104 Base-Backbone interact. energy: -0.120 local terms energy: -124.834266 where: bonds (distance) C4'-P energy: -24.649 bonds (distance) P-C4' energy: -23.129 flat angles C4'-P-C4' energy: -29.187 flat angles P-C4'-P energy: -16.618 tors. eta vs tors. theta energy: -31.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -354.996966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.996966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.996966 (E_RNA) where: Base-Base interactions energy: -242.925 where: short stacking energy: -107.595 Base-Backbone interact. energy: -1.308 local terms energy: -110.764704 where: bonds (distance) C4'-P energy: -24.409 bonds (distance) P-C4' energy: -25.204 flat angles C4'-P-C4' energy: -21.069 flat angles P-C4'-P energy: -11.678 tors. eta vs tors. theta energy: -28.405 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: 281 Temperature: 1.100000 Total energy: -360.836937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.836937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.836937 (E_RNA) where: Base-Base interactions energy: -234.257 where: short stacking energy: -117.516 Base-Backbone interact. energy: -0.396 local terms energy: -126.183589 where: bonds (distance) C4'-P energy: -21.124 bonds (distance) P-C4' energy: -24.986 flat angles C4'-P-C4' energy: -24.999 flat angles P-C4'-P energy: -20.917 tors. eta vs tors. theta energy: -34.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -220.587832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.587832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.587832 (E_RNA) where: Base-Base interactions energy: -133.216 where: short stacking energy: -71.385 Base-Backbone interact. energy: 0.631 local terms energy: -88.002615 where: bonds (distance) C4'-P energy: -16.700 bonds (distance) P-C4' energy: -24.683 flat angles C4'-P-C4' energy: -20.045 flat angles P-C4'-P energy: -12.663 tors. eta vs tors. theta energy: -13.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -265.415586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.415586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.415586 (E_RNA) where: Base-Base interactions energy: -170.573 where: short stacking energy: -86.714 Base-Backbone interact. energy: -0.362 local terms energy: -94.480689 where: bonds (distance) C4'-P energy: -11.174 bonds (distance) P-C4' energy: -21.916 flat angles C4'-P-C4' energy: -21.774 flat angles P-C4'-P energy: -18.020 tors. eta vs tors. theta energy: -21.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -241.007664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.007664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.007664 (E_RNA) where: Base-Base interactions energy: -160.472 where: short stacking energy: -79.609 Base-Backbone interact. energy: 0.383 local terms energy: -80.919024 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -20.516 flat angles C4'-P-C4' energy: -26.877 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -13.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -139.807416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.807416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.807416 (E_RNA) where: Base-Base interactions energy: -62.586 where: short stacking energy: -35.949 Base-Backbone interact. energy: -0.781 local terms energy: -76.440473 where: bonds (distance) C4'-P energy: -23.719 bonds (distance) P-C4' energy: -20.290 flat angles C4'-P-C4' energy: -19.970 flat angles P-C4'-P energy: -10.340 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: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -150.696537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.696537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.696537 (E_RNA) where: Base-Base interactions energy: -67.513 where: short stacking energy: -34.164 Base-Backbone interact. energy: 1.068 local terms energy: -84.251933 where: bonds (distance) C4'-P energy: -25.571 bonds (distance) P-C4' energy: -24.315 flat angles C4'-P-C4' energy: -22.283 flat angles P-C4'-P energy: -15.028 tors. eta vs tors. theta energy: 2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -403.565380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.565380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.565380 (E_RNA) where: Base-Base interactions energy: -278.767 where: short stacking energy: -113.480 Base-Backbone interact. energy: -0.166 local terms energy: -124.631981 where: bonds (distance) C4'-P energy: -23.888 bonds (distance) P-C4' energy: -22.096 flat angles C4'-P-C4' energy: -29.613 flat angles P-C4'-P energy: -13.713 tors. eta vs tors. theta energy: -35.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -398.736492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.736492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.736492 (E_RNA) where: Base-Base interactions energy: -274.462 where: short stacking energy: -119.512 Base-Backbone interact. energy: -0.530 local terms energy: -123.744133 where: bonds (distance) C4'-P energy: -19.321 bonds (distance) P-C4' energy: -26.280 flat angles C4'-P-C4' energy: -29.148 flat angles P-C4'-P energy: -19.615 tors. eta vs tors. theta energy: -29.379 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: 1 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -360.151378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.151378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.151378 (E_RNA) where: Base-Base interactions energy: -248.282 where: short stacking energy: -94.328 Base-Backbone interact. energy: -0.202 local terms energy: -111.667151 where: bonds (distance) C4'-P energy: -23.962 bonds (distance) P-C4' energy: -23.996 flat angles C4'-P-C4' energy: -20.614 flat angles P-C4'-P energy: -17.907 tors. eta vs tors. theta energy: -25.188 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: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -365.625613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.625613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.625613 (E_RNA) where: Base-Base interactions energy: -257.314 where: short stacking energy: -106.273 Base-Backbone interact. energy: -0.010 local terms energy: -108.301036 where: bonds (distance) C4'-P energy: -23.640 bonds (distance) P-C4' energy: -21.781 flat angles C4'-P-C4' energy: -25.078 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -26.605 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: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -351.571952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.571952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.571952 (E_RNA) where: Base-Base interactions energy: -232.485 where: short stacking energy: -120.035 Base-Backbone interact. energy: -1.563 local terms energy: -117.523742 where: bonds (distance) C4'-P energy: -19.814 bonds (distance) P-C4' energy: -23.475 flat angles C4'-P-C4' energy: -21.906 flat angles P-C4'-P energy: -13.930 tors. eta vs tors. theta energy: -38.399 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: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -226.941960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.941960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.941960 (E_RNA) where: Base-Base interactions energy: -137.708 where: short stacking energy: -87.511 Base-Backbone interact. energy: 1.088 local terms energy: -90.322564 where: bonds (distance) C4'-P energy: -22.377 bonds (distance) P-C4' energy: -23.666 flat angles C4'-P-C4' energy: -20.438 flat angles P-C4'-P energy: -11.062 tors. eta vs tors. theta energy: -12.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -292.037602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.037602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.037602 (E_RNA) where: Base-Base interactions energy: -193.823 where: short stacking energy: -96.185 Base-Backbone interact. energy: -0.066 local terms energy: -98.149473 where: bonds (distance) C4'-P energy: -23.037 bonds (distance) P-C4' energy: -17.394 flat angles C4'-P-C4' energy: -18.112 flat angles P-C4'-P energy: -12.913 tors. eta vs tors. theta energy: -26.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -247.536069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.536069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.536069 (E_RNA) where: Base-Base interactions energy: -158.845 where: short stacking energy: -72.494 Base-Backbone interact. energy: -0.452 local terms energy: -88.238569 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -23.011 flat angles C4'-P-C4' energy: -21.846 flat angles P-C4'-P energy: -16.461 tors. eta vs tors. theta energy: -14.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -130.318050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.318050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.318050 (E_RNA) where: Base-Base interactions energy: -69.592 where: short stacking energy: -49.314 Base-Backbone interact. energy: -0.458 local terms energy: -60.267344 where: bonds (distance) C4'-P energy: -18.211 bonds (distance) P-C4' energy: -21.592 flat angles C4'-P-C4' energy: -18.524 flat angles P-C4'-P energy: -1.279 tors. eta vs tors. theta energy: -0.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -122.399600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.399600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.399600 (E_RNA) where: Base-Base interactions energy: -40.095 where: short stacking energy: -39.797 Base-Backbone interact. energy: -0.177 local terms energy: -82.127917 where: bonds (distance) C4'-P energy: -25.138 bonds (distance) P-C4' energy: -25.878 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -10.715 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: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -402.396926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.396926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.396926 (E_RNA) where: Base-Base interactions energy: -275.542 where: short stacking energy: -111.642 Base-Backbone interact. energy: -0.141 local terms energy: -126.713431 where: bonds (distance) C4'-P energy: -24.434 bonds (distance) P-C4' energy: -25.517 flat angles C4'-P-C4' energy: -25.996 flat angles P-C4'-P energy: -17.278 tors. eta vs tors. theta energy: -33.489 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: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -406.034623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.034623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.034623 (E_RNA) where: Base-Base interactions energy: -283.584 where: short stacking energy: -116.765 Base-Backbone interact. energy: -0.359 local terms energy: -122.091959 where: bonds (distance) C4'-P energy: -28.736 bonds (distance) P-C4' energy: -19.438 flat angles C4'-P-C4' energy: -22.831 flat angles P-C4'-P energy: -18.688 tors. eta vs tors. theta energy: -32.399 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: 1 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -366.665229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.665229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.665229 (E_RNA) where: Base-Base interactions energy: -244.663 where: short stacking energy: -115.850 Base-Backbone interact. energy: -1.442 local terms energy: -120.560113 where: bonds (distance) C4'-P energy: -23.367 bonds (distance) P-C4' energy: -21.087 flat angles C4'-P-C4' energy: -23.760 flat angles P-C4'-P energy: -20.216 tors. eta vs tors. theta energy: -32.129 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: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -360.627827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.627827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.627827 (E_RNA) where: Base-Base interactions energy: -246.699 where: short stacking energy: -124.250 Base-Backbone interact. energy: -0.072 local terms energy: -113.856159 where: bonds (distance) C4'-P energy: -18.190 bonds (distance) P-C4' energy: -21.023 flat angles C4'-P-C4' energy: -27.312 flat angles P-C4'-P energy: -14.314 tors. eta vs tors. theta energy: -33.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -345.709385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.709385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.709385 (E_RNA) where: Base-Base interactions energy: -224.862 where: short stacking energy: -102.082 Base-Backbone interact. energy: -0.695 local terms energy: -120.152972 where: bonds (distance) C4'-P energy: -23.330 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -29.101 flat angles P-C4'-P energy: -21.298 tors. eta vs tors. theta energy: -31.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -280.680726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.680726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.680726 (E_RNA) where: Base-Base interactions energy: -177.610 where: short stacking energy: -84.799 Base-Backbone interact. energy: -0.335 local terms energy: -102.735775 where: bonds (distance) C4'-P energy: -20.629 bonds (distance) P-C4' energy: -20.129 flat angles C4'-P-C4' energy: -18.486 flat angles P-C4'-P energy: -19.834 tors. eta vs tors. theta energy: -23.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -251.852021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.852021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.852021 (E_RNA) where: Base-Base interactions energy: -155.536 where: short stacking energy: -82.074 Base-Backbone interact. energy: 0.723 local terms energy: -97.038336 where: bonds (distance) C4'-P energy: -18.897 bonds (distance) P-C4' energy: -24.436 flat angles C4'-P-C4' energy: -19.844 flat angles P-C4'-P energy: -12.634 tors. eta vs tors. theta energy: -21.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -227.220511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.220511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.220511 (E_RNA) where: Base-Base interactions energy: -151.084 where: short stacking energy: -63.968 Base-Backbone interact. energy: -0.318 local terms energy: -75.818764 where: bonds (distance) C4'-P energy: -11.961 bonds (distance) P-C4' energy: -19.910 flat angles C4'-P-C4' energy: -16.077 flat angles P-C4'-P energy: -13.748 tors. eta vs tors. theta energy: -14.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -177.128146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.128146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.128146 (E_RNA) where: Base-Base interactions energy: -103.466 where: short stacking energy: -45.872 Base-Backbone interact. energy: -0.432 local terms energy: -73.229232 where: bonds (distance) C4'-P energy: -17.275 bonds (distance) P-C4' energy: -22.024 flat angles C4'-P-C4' energy: -17.711 flat angles P-C4'-P energy: -14.256 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -112.393787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.393787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.393787 (E_RNA) where: Base-Base interactions energy: -36.370 where: short stacking energy: -36.370 Base-Backbone interact. energy: -0.103 local terms energy: -75.920671 where: bonds (distance) C4'-P energy: -25.109 bonds (distance) P-C4' energy: -20.431 flat angles C4'-P-C4' energy: -17.180 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -410.297818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.297818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.297818 (E_RNA) where: Base-Base interactions energy: -283.437 where: short stacking energy: -113.202 Base-Backbone interact. energy: -0.211 local terms energy: -126.649606 where: bonds (distance) C4'-P energy: -24.349 bonds (distance) P-C4' energy: -24.700 flat angles C4'-P-C4' energy: -28.132 flat angles P-C4'-P energy: -20.811 tors. eta vs tors. theta energy: -28.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -384.115839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.115839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.115839 (E_RNA) where: Base-Base interactions energy: -264.340 where: short stacking energy: -113.859 Base-Backbone interact. energy: -0.787 local terms energy: -118.988682 where: bonds (distance) C4'-P energy: -22.301 bonds (distance) P-C4' energy: -28.784 flat angles C4'-P-C4' energy: -18.218 flat angles P-C4'-P energy: -14.507 tors. eta vs tors. theta energy: -35.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -366.686820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.686820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.686820 (E_RNA) where: Base-Base interactions energy: -250.253 where: short stacking energy: -111.772 Base-Backbone interact. energy: -0.714 local terms energy: -115.719873 where: bonds (distance) C4'-P energy: -20.666 bonds (distance) P-C4' energy: -22.660 flat angles C4'-P-C4' energy: -27.040 flat angles P-C4'-P energy: -17.672 tors. eta vs tors. theta energy: -27.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -354.551176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.551176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.551176 (E_RNA) where: Base-Base interactions energy: -233.875 where: short stacking energy: -114.178 Base-Backbone interact. energy: -0.798 local terms energy: -119.878071 where: bonds (distance) C4'-P energy: -21.271 bonds (distance) P-C4' energy: -27.023 flat angles C4'-P-C4' energy: -21.222 flat angles P-C4'-P energy: -18.459 tors. eta vs tors. theta energy: -31.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -330.339679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.339679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.339679 (E_RNA) where: Base-Base interactions energy: -236.230 where: short stacking energy: -98.992 Base-Backbone interact. energy: -0.516 local terms energy: -93.593927 where: bonds (distance) C4'-P energy: -17.462 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -23.219 flat angles P-C4'-P energy: -13.620 tors. eta vs tors. theta energy: -24.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -287.920688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.920688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.920688 (E_RNA) where: Base-Base interactions energy: -183.996 where: short stacking energy: -86.167 Base-Backbone interact. energy: -0.531 local terms energy: -103.393092 where: bonds (distance) C4'-P energy: -22.138 bonds (distance) P-C4' energy: -21.802 flat angles C4'-P-C4' energy: -23.137 flat angles P-C4'-P energy: -12.759 tors. eta vs tors. theta energy: -23.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -190.123773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.123773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.123773 (E_RNA) where: Base-Base interactions energy: -111.496 where: short stacking energy: -58.208 Base-Backbone interact. energy: 1.760 local terms energy: -80.387894 where: bonds (distance) C4'-P energy: -18.106 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -22.068 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -236.287799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.287799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.287799 (E_RNA) where: Base-Base interactions energy: -154.425 where: short stacking energy: -74.052 Base-Backbone interact. energy: 1.251 local terms energy: -83.113757 where: bonds (distance) C4'-P energy: -26.169 bonds (distance) P-C4' energy: -10.009 flat angles C4'-P-C4' energy: -24.438 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -13.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -171.172072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.172072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.172072 (E_RNA) where: Base-Base interactions energy: -109.644 where: short stacking energy: -48.538 Base-Backbone interact. energy: -0.533 local terms energy: -60.995833 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -18.243 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -17.966 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: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -113.492637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.492637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.492637 (E_RNA) where: Base-Base interactions energy: -42.723 where: short stacking energy: -41.455 Base-Backbone interact. energy: -0.567 local terms energy: -70.202877 where: bonds (distance) C4'-P energy: -16.786 bonds (distance) P-C4' energy: -24.881 flat angles C4'-P-C4' energy: -11.764 flat angles P-C4'-P energy: -16.755 tors. eta vs tors. theta energy: -0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -405.201106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.201106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.201106 (E_RNA) where: Base-Base interactions energy: -285.251 where: short stacking energy: -120.250 Base-Backbone interact. energy: -0.116 local terms energy: -119.835032 where: bonds (distance) C4'-P energy: -20.121 bonds (distance) P-C4' energy: -24.726 flat angles C4'-P-C4' energy: -25.942 flat angles P-C4'-P energy: -17.482 tors. eta vs tors. theta energy: -31.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -388.862702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.862702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.862702 (E_RNA) where: Base-Base interactions energy: -271.581 where: short stacking energy: -118.284 Base-Backbone interact. energy: -0.369 local terms energy: -116.912470 where: bonds (distance) C4'-P energy: -24.172 bonds (distance) P-C4' energy: -21.727 flat angles C4'-P-C4' energy: -23.748 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -35.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -363.233188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.233188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.233188 (E_RNA) where: Base-Base interactions energy: -243.434 where: short stacking energy: -108.714 Base-Backbone interact. energy: -0.565 local terms energy: -119.234325 where: bonds (distance) C4'-P energy: -22.183 bonds (distance) P-C4' energy: -27.269 flat angles C4'-P-C4' energy: -26.069 flat angles P-C4'-P energy: -16.636 tors. eta vs tors. theta energy: -27.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -358.707076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.707076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.707076 (E_RNA) where: Base-Base interactions energy: -227.900 where: short stacking energy: -110.592 Base-Backbone interact. energy: -0.619 local terms energy: -130.187526 where: bonds (distance) C4'-P energy: -24.417 bonds (distance) P-C4' energy: -22.352 flat angles C4'-P-C4' energy: -28.646 flat angles P-C4'-P energy: -17.962 tors. eta vs tors. theta energy: -36.810 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: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -366.966261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.966261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.966261 (E_RNA) where: Base-Base interactions energy: -243.771 where: short stacking energy: -100.186 Base-Backbone interact. energy: -0.744 local terms energy: -122.451083 where: bonds (distance) C4'-P energy: -27.075 bonds (distance) P-C4' energy: -25.919 flat angles C4'-P-C4' energy: -29.308 flat angles P-C4'-P energy: -12.989 tors. eta vs tors. theta energy: -27.160 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: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -305.699424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.699424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.699424 (E_RNA) where: Base-Base interactions energy: -205.064 where: short stacking energy: -93.994 Base-Backbone interact. energy: -0.824 local terms energy: -99.811441 where: bonds (distance) C4'-P energy: -22.634 bonds (distance) P-C4' energy: -25.335 flat angles C4'-P-C4' energy: -18.939 flat angles P-C4'-P energy: -8.572 tors. eta vs tors. theta energy: -24.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -222.795804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.795804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.795804 (E_RNA) where: Base-Base interactions energy: -130.072 where: short stacking energy: -73.775 Base-Backbone interact. energy: 0.147 local terms energy: -92.870363 where: bonds (distance) C4'-P energy: -22.467 bonds (distance) P-C4' energy: -21.247 flat angles C4'-P-C4' energy: -20.330 flat angles P-C4'-P energy: -14.559 tors. eta vs tors. theta energy: -14.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -209.664304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.664304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.664304 (E_RNA) where: Base-Base interactions energy: -124.080 where: short stacking energy: -61.879 Base-Backbone interact. energy: -1.748 local terms energy: -83.836363 where: bonds (distance) C4'-P energy: -22.361 bonds (distance) P-C4' energy: -16.011 flat angles C4'-P-C4' energy: -20.606 flat angles P-C4'-P energy: -15.334 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: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -232.456207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.456207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.456207 (E_RNA) where: Base-Base interactions energy: -155.012 where: short stacking energy: -77.584 Base-Backbone interact. energy: -0.983 local terms energy: -76.461185 where: bonds (distance) C4'-P energy: -16.846 bonds (distance) P-C4' energy: -23.910 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -15.933 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: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -108.506541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.506541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.506541 (E_RNA) where: Base-Base interactions energy: -48.262 where: short stacking energy: -43.510 Base-Backbone interact. energy: -0.171 local terms energy: -60.073167 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -19.392 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -11.452 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -388.916130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.916130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.916130 (E_RNA) where: Base-Base interactions energy: -269.589 where: short stacking energy: -101.403 Base-Backbone interact. energy: -0.120 local terms energy: -119.207134 where: bonds (distance) C4'-P energy: -20.780 bonds (distance) P-C4' energy: -25.434 flat angles C4'-P-C4' energy: -25.939 flat angles P-C4'-P energy: -16.225 tors. eta vs tors. theta energy: -30.829 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: 9 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -406.734688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.734688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.734688 (E_RNA) where: Base-Base interactions energy: -279.935 where: short stacking energy: -127.628 Base-Backbone interact. energy: -0.718 local terms energy: -126.081191 where: bonds (distance) C4'-P energy: -23.643 bonds (distance) P-C4' energy: -25.564 flat angles C4'-P-C4' energy: -24.619 flat angles P-C4'-P energy: -17.775 tors. eta vs tors. theta energy: -34.482 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: 3, replica: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -368.663304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.663304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.663304 (E_RNA) where: Base-Base interactions energy: -250.866 where: short stacking energy: -123.515 Base-Backbone interact. energy: -0.653 local terms energy: -117.143929 where: bonds (distance) C4'-P energy: -20.879 bonds (distance) P-C4' energy: -18.699 flat angles C4'-P-C4' energy: -26.544 flat angles P-C4'-P energy: -15.469 tors. eta vs tors. theta energy: -35.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -350.355615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.355615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.355615 (E_RNA) where: Base-Base interactions energy: -243.861 where: short stacking energy: -100.159 Base-Backbone interact. energy: -0.174 local terms energy: -106.321246 where: bonds (distance) C4'-P energy: -21.760 bonds (distance) P-C4' energy: -24.953 flat angles C4'-P-C4' energy: -19.646 flat angles P-C4'-P energy: -14.792 tors. eta vs tors. theta energy: -25.170 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: 286 Temperature: 1.100000 Total energy: -383.317605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.317605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.317605 (E_RNA) where: Base-Base interactions energy: -259.605 where: short stacking energy: -111.731 Base-Backbone interact. energy: -0.834 local terms energy: -122.878497 where: bonds (distance) C4'-P energy: -26.827 bonds (distance) P-C4' energy: -26.222 flat angles C4'-P-C4' energy: -24.916 flat angles P-C4'-P energy: -12.780 tors. eta vs tors. theta energy: -32.133 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -269.368914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.368914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.368914 (E_RNA) where: Base-Base interactions energy: -180.964 where: short stacking energy: -87.311 Base-Backbone interact. energy: -1.077 local terms energy: -87.327341 where: bonds (distance) C4'-P energy: -17.586 bonds (distance) P-C4' energy: -23.777 flat angles C4'-P-C4' energy: -22.616 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -17.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -215.842015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.842015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.842015 (E_RNA) where: Base-Base interactions energy: -118.299 where: short stacking energy: -64.911 Base-Backbone interact. energy: -0.103 local terms energy: -97.439904 where: bonds (distance) C4'-P energy: -21.126 bonds (distance) P-C4' energy: -22.951 flat angles C4'-P-C4' energy: -25.665 flat angles P-C4'-P energy: -16.412 tors. eta vs tors. theta energy: -11.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -199.469969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.469969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.469969 (E_RNA) where: Base-Base interactions energy: -111.895 where: short stacking energy: -63.312 Base-Backbone interact. energy: -0.486 local terms energy: -87.089272 where: bonds (distance) C4'-P energy: -23.155 bonds (distance) P-C4' energy: -20.741 flat angles C4'-P-C4' energy: -25.839 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: -10.355 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: 286 Temperature: 1.300000 Total energy: -128.555917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.555917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.555917 (E_RNA) where: Base-Base interactions energy: -49.532 where: short stacking energy: -49.832 Base-Backbone interact. energy: -0.341 local terms energy: -78.682923 where: bonds (distance) C4'-P energy: -21.728 bonds (distance) P-C4' energy: -22.587 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -10.809 tors. eta vs tors. theta energy: -10.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -222.680627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.680627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.680627 (E_RNA) where: Base-Base interactions energy: -138.790 where: short stacking energy: -55.999 Base-Backbone interact. energy: -0.401 local terms energy: -83.489794 where: bonds (distance) C4'-P energy: -20.028 bonds (distance) P-C4' energy: -23.350 flat angles C4'-P-C4' energy: -23.525 flat angles P-C4'-P energy: -10.646 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: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -392.108198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.108198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.108198 (E_RNA) where: Base-Base interactions energy: -264.872 where: short stacking energy: -115.906 Base-Backbone interact. energy: -0.729 local terms energy: -126.507135 where: bonds (distance) C4'-P energy: -21.834 bonds (distance) P-C4' energy: -24.999 flat angles C4'-P-C4' energy: -23.876 flat angles P-C4'-P energy: -21.775 tors. eta vs tors. theta energy: -34.024 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: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -413.727451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.727451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.727451 (E_RNA) where: Base-Base interactions energy: -282.381 where: short stacking energy: -125.177 Base-Backbone interact. energy: -0.974 local terms energy: -130.373212 where: bonds (distance) C4'-P energy: -23.094 bonds (distance) P-C4' energy: -26.723 flat angles C4'-P-C4' energy: -27.975 flat angles P-C4'-P energy: -19.374 tors. eta vs tors. theta energy: -33.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -358.840572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.840572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.840572 (E_RNA) where: Base-Base interactions energy: -233.165 where: short stacking energy: -118.955 Base-Backbone interact. energy: -0.186 local terms energy: -125.489524 where: bonds (distance) C4'-P energy: -23.687 bonds (distance) P-C4' energy: -25.387 flat angles C4'-P-C4' energy: -26.760 flat angles P-C4'-P energy: -15.991 tors. eta vs tors. theta energy: -33.665 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: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -373.306245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.306245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.306245 (E_RNA) where: Base-Base interactions energy: -259.046 where: short stacking energy: -108.541 Base-Backbone interact. energy: -0.156 local terms energy: -114.104196 where: bonds (distance) C4'-P energy: -18.900 bonds (distance) P-C4' energy: -24.261 flat angles C4'-P-C4' energy: -22.971 flat angles P-C4'-P energy: -14.033 tors. eta vs tors. theta energy: -33.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -331.087625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.087625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.087625 (E_RNA) where: Base-Base interactions energy: -223.498 where: short stacking energy: -91.574 Base-Backbone interact. energy: -0.130 local terms energy: -107.459337 where: bonds (distance) C4'-P energy: -22.932 bonds (distance) P-C4' energy: -17.692 flat angles C4'-P-C4' energy: -24.793 flat angles P-C4'-P energy: -17.952 tors. eta vs tors. theta energy: -24.090 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: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -300.634942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.634942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.634942 (E_RNA) where: Base-Base interactions energy: -192.131 where: short stacking energy: -90.453 Base-Backbone interact. energy: -0.586 local terms energy: -107.917855 where: bonds (distance) C4'-P energy: -20.028 bonds (distance) P-C4' energy: -23.839 flat angles C4'-P-C4' energy: -25.561 flat angles P-C4'-P energy: -12.199 tors. eta vs tors. theta energy: -26.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -236.776018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.776018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.776018 (E_RNA) where: Base-Base interactions energy: -141.299 where: short stacking energy: -75.568 Base-Backbone interact. energy: -1.781 local terms energy: -93.695999 where: bonds (distance) C4'-P energy: -16.879 bonds (distance) P-C4' energy: -17.282 flat angles C4'-P-C4' energy: -24.082 flat angles P-C4'-P energy: -17.917 tors. eta vs tors. theta energy: -17.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -220.533694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.533694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.533694 (E_RNA) where: Base-Base interactions energy: -136.088 where: short stacking energy: -69.865 Base-Backbone interact. energy: -0.216 local terms energy: -84.230024 where: bonds (distance) C4'-P energy: -21.906 bonds (distance) P-C4' energy: -25.512 flat angles C4'-P-C4' energy: -15.639 flat angles P-C4'-P energy: -11.985 tors. eta vs tors. theta energy: -9.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -123.221795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.221795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.221795 (E_RNA) where: Base-Base interactions energy: -52.678 where: short stacking energy: -52.678 Base-Backbone interact. energy: -0.237 local terms energy: -70.306160 where: bonds (distance) C4'-P energy: -20.386 bonds (distance) P-C4' energy: -23.021 flat angles C4'-P-C4' energy: -20.394 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: 0.389 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: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -176.522833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.522833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.522833 (E_RNA) where: Base-Base interactions energy: -99.188 where: short stacking energy: -52.650 Base-Backbone interact. energy: -0.349 local terms energy: -76.986333 where: bonds (distance) C4'-P energy: -21.238 bonds (distance) P-C4' energy: -17.293 flat angles C4'-P-C4' energy: -20.520 flat angles P-C4'-P energy: -13.413 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: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -413.737887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.737887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.737887 (E_RNA) where: Base-Base interactions energy: -289.345 where: short stacking energy: -118.895 Base-Backbone interact. energy: -0.136 local terms energy: -124.256793 where: bonds (distance) C4'-P energy: -23.954 bonds (distance) P-C4' energy: -25.435 flat angles C4'-P-C4' energy: -26.457 flat angles P-C4'-P energy: -14.175 tors. eta vs tors. theta energy: -34.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -388.411926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.411926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.411926 (E_RNA) where: Base-Base interactions energy: -263.418 where: short stacking energy: -114.572 Base-Backbone interact. energy: 0.047 local terms energy: -125.041304 where: bonds (distance) C4'-P energy: -22.954 bonds (distance) P-C4' energy: -26.068 flat angles C4'-P-C4' energy: -26.218 flat angles P-C4'-P energy: -17.401 tors. eta vs tors. theta energy: -32.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -361.771001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.771001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.771001 (E_RNA) where: Base-Base interactions energy: -241.094 where: short stacking energy: -109.086 Base-Backbone interact. energy: -1.849 local terms energy: -118.828034 where: bonds (distance) C4'-P energy: -26.869 bonds (distance) P-C4' energy: -17.196 flat angles C4'-P-C4' energy: -23.708 flat angles P-C4'-P energy: -18.229 tors. eta vs tors. theta energy: -32.826 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: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -353.252021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.252021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.252021 (E_RNA) where: Base-Base interactions energy: -233.712 where: short stacking energy: -117.544 Base-Backbone interact. energy: -0.580 local terms energy: -118.959268 where: bonds (distance) C4'-P energy: -24.025 bonds (distance) P-C4' energy: -20.982 flat angles C4'-P-C4' energy: -24.213 flat angles P-C4'-P energy: -17.639 tors. eta vs tors. theta energy: -32.099 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: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -334.525434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.525434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.525434 (E_RNA) where: Base-Base interactions energy: -219.997 where: short stacking energy: -98.173 Base-Backbone interact. energy: -0.362 local terms energy: -114.165723 where: bonds (distance) C4'-P energy: -24.786 bonds (distance) P-C4' energy: -20.064 flat angles C4'-P-C4' energy: -25.121 flat angles P-C4'-P energy: -18.158 tors. eta vs tors. theta energy: -26.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -269.195439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.195439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.195439 (E_RNA) where: Base-Base interactions energy: -165.896 where: short stacking energy: -80.273 Base-Backbone interact. energy: -0.112 local terms energy: -103.187706 where: bonds (distance) C4'-P energy: -15.104 bonds (distance) P-C4' energy: -22.636 flat angles C4'-P-C4' energy: -29.264 flat angles P-C4'-P energy: -15.093 tors. eta vs tors. theta energy: -21.091 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: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -219.714584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.714584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.714584 (E_RNA) where: Base-Base interactions energy: -131.372 where: short stacking energy: -69.246 Base-Backbone interact. energy: -1.083 local terms energy: -87.259419 where: bonds (distance) C4'-P energy: -21.428 bonds (distance) P-C4' energy: -19.494 flat angles C4'-P-C4' energy: -21.015 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -18.850 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: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -203.062737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.062737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.062737 (E_RNA) where: Base-Base interactions energy: -124.821 where: short stacking energy: -69.996 Base-Backbone interact. energy: 2.192 local terms energy: -80.433621 where: bonds (distance) C4'-P energy: -22.199 bonds (distance) P-C4' energy: -19.676 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -16.478 tors. eta vs tors. theta energy: -8.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -195.490296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.490296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.490296 (E_RNA) where: Base-Base interactions energy: -114.943 where: short stacking energy: -59.895 Base-Backbone interact. energy: 1.068 local terms energy: -81.616213 where: bonds (distance) C4'-P energy: -19.550 bonds (distance) P-C4' energy: -24.107 flat angles C4'-P-C4' energy: -16.702 flat angles P-C4'-P energy: -14.899 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: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -122.325492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.325492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.325492 (E_RNA) where: Base-Base interactions energy: -47.938 where: short stacking energy: -48.838 Base-Backbone interact. energy: 1.439 local terms energy: -75.825858 where: bonds (distance) C4'-P energy: -19.918 bonds (distance) P-C4' energy: -23.446 flat angles C4'-P-C4' energy: -24.034 flat angles P-C4'-P energy: -3.563 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: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -413.672045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.672045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.672045 (E_RNA) where: Base-Base interactions energy: -289.384 where: short stacking energy: -119.933 Base-Backbone interact. energy: -0.004 local terms energy: -124.284345 where: bonds (distance) C4'-P energy: -25.593 bonds (distance) P-C4' energy: -23.291 flat angles C4'-P-C4' energy: -25.001 flat angles P-C4'-P energy: -16.492 tors. eta vs tors. theta energy: -33.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -392.253939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.253939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.253939 (E_RNA) where: Base-Base interactions energy: -251.964 where: short stacking energy: -119.780 Base-Backbone interact. energy: -1.225 local terms energy: -139.064571 where: bonds (distance) C4'-P energy: -28.215 bonds (distance) P-C4' energy: -25.064 flat angles C4'-P-C4' energy: -26.056 flat angles P-C4'-P energy: -20.721 tors. eta vs tors. theta energy: -39.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -370.047222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.047222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.047222 (E_RNA) where: Base-Base interactions energy: -247.651 where: short stacking energy: -116.821 Base-Backbone interact. energy: -0.298 local terms energy: -122.097585 where: bonds (distance) C4'-P energy: -21.733 bonds (distance) P-C4' energy: -24.656 flat angles C4'-P-C4' energy: -21.165 flat angles P-C4'-P energy: -17.807 tors. eta vs tors. theta energy: -36.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -347.166306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.166306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.166306 (E_RNA) where: Base-Base interactions energy: -222.631 where: short stacking energy: -98.588 Base-Backbone interact. energy: -0.807 local terms energy: -123.727785 where: bonds (distance) C4'-P energy: -21.661 bonds (distance) P-C4' energy: -25.205 flat angles C4'-P-C4' energy: -27.431 flat angles P-C4'-P energy: -19.959 tors. eta vs tors. theta energy: -29.472 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: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -340.902269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.902269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.902269 (E_RNA) where: Base-Base interactions energy: -214.522 where: short stacking energy: -116.750 Base-Backbone interact. energy: -0.014 local terms energy: -126.366352 where: bonds (distance) C4'-P energy: -21.845 bonds (distance) P-C4' energy: -25.293 flat angles C4'-P-C4' energy: -27.099 flat angles P-C4'-P energy: -18.296 tors. eta vs tors. theta energy: -33.834 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: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -266.060414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.060414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.060414 (E_RNA) where: Base-Base interactions energy: -165.275 where: short stacking energy: -70.333 Base-Backbone interact. energy: -0.679 local terms energy: -100.107377 where: bonds (distance) C4'-P energy: -21.808 bonds (distance) P-C4' energy: -23.665 flat angles C4'-P-C4' energy: -23.754 flat angles P-C4'-P energy: -15.215 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -198.816609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.816609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.816609 (E_RNA) where: Base-Base interactions energy: -111.602 where: short stacking energy: -65.438 Base-Backbone interact. energy: -0.403 local terms energy: -86.811879 where: bonds (distance) C4'-P energy: -23.928 bonds (distance) P-C4' energy: -19.399 flat angles C4'-P-C4' energy: -21.806 flat angles P-C4'-P energy: -11.787 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -200.045539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.045539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.045539 (E_RNA) where: Base-Base interactions energy: -109.509 where: short stacking energy: -60.931 Base-Backbone interact. energy: -1.721 local terms energy: -88.814900 where: bonds (distance) C4'-P energy: -26.748 bonds (distance) P-C4' energy: -19.470 flat angles C4'-P-C4' energy: -20.634 flat angles P-C4'-P energy: -16.095 tors. eta vs tors. theta energy: -5.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -192.330351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.330351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.330351 (E_RNA) where: Base-Base interactions energy: -111.056 where: short stacking energy: -71.296 Base-Backbone interact. energy: -0.045 local terms energy: -81.229591 where: bonds (distance) C4'-P energy: -15.467 bonds (distance) P-C4' energy: -18.458 flat angles C4'-P-C4' energy: -23.396 flat angles P-C4'-P energy: -16.496 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: 10, replica: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -123.208773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.208773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.208773 (E_RNA) where: Base-Base interactions energy: -41.234 where: short stacking energy: -40.824 Base-Backbone interact. energy: -0.271 local terms energy: -81.703803 where: bonds (distance) C4'-P energy: -17.497 bonds (distance) P-C4' energy: -23.196 flat angles C4'-P-C4' energy: -22.310 flat angles P-C4'-P energy: -17.099 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -418.660226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.660226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.660226 (E_RNA) where: Base-Base interactions energy: -289.118 where: short stacking energy: -127.217 Base-Backbone interact. energy: -0.003 local terms energy: -129.538530 where: bonds (distance) C4'-P energy: -22.190 bonds (distance) P-C4' energy: -25.727 flat angles C4'-P-C4' energy: -23.711 flat angles P-C4'-P energy: -21.968 tors. eta vs tors. theta energy: -35.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -399.919501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.919501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.919501 (E_RNA) where: Base-Base interactions energy: -267.487 where: short stacking energy: -118.234 Base-Backbone interact. energy: -0.008 local terms energy: -132.424873 where: bonds (distance) C4'-P energy: -28.926 bonds (distance) P-C4' energy: -23.030 flat angles C4'-P-C4' energy: -25.934 flat angles P-C4'-P energy: -16.993 tors. eta vs tors. theta energy: -37.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -369.625835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.625835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.625835 (E_RNA) where: Base-Base interactions energy: -255.162 where: short stacking energy: -113.874 Base-Backbone interact. energy: -0.217 local terms energy: -114.246748 where: bonds (distance) C4'-P energy: -22.297 bonds (distance) P-C4' energy: -19.275 flat angles C4'-P-C4' energy: -21.783 flat angles P-C4'-P energy: -18.090 tors. eta vs tors. theta energy: -32.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -357.414311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.414311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.414311 (E_RNA) where: Base-Base interactions energy: -228.675 where: short stacking energy: -105.794 Base-Backbone interact. energy: -1.268 local terms energy: -127.471052 where: bonds (distance) C4'-P energy: -24.719 bonds (distance) P-C4' energy: -26.266 flat angles C4'-P-C4' energy: -26.695 flat angles P-C4'-P energy: -16.259 tors. eta vs tors. theta energy: -33.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -335.145022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.145022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.145022 (E_RNA) where: Base-Base interactions energy: -219.970 where: short stacking energy: -108.075 Base-Backbone interact. energy: -0.112 local terms energy: -115.062767 where: bonds (distance) C4'-P energy: -25.987 bonds (distance) P-C4' energy: -22.898 flat angles C4'-P-C4' energy: -22.906 flat angles P-C4'-P energy: -9.574 tors. eta vs tors. theta energy: -33.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -269.658716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.658716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.658716 (E_RNA) where: Base-Base interactions energy: -172.384 where: short stacking energy: -94.921 Base-Backbone interact. energy: -0.651 local terms energy: -96.623361 where: bonds (distance) C4'-P energy: -17.534 bonds (distance) P-C4' energy: -18.288 flat angles C4'-P-C4' energy: -25.671 flat angles P-C4'-P energy: -12.899 tors. eta vs tors. theta energy: -22.231 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: 290 Temperature: 1.200000 Total energy: -206.315686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.315686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.315686 (E_RNA) where: Base-Base interactions energy: -119.884 where: short stacking energy: -74.356 Base-Backbone interact. energy: -0.717 local terms energy: -85.714657 where: bonds (distance) C4'-P energy: -20.203 bonds (distance) P-C4' energy: -16.927 flat angles C4'-P-C4' energy: -23.437 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -16.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -208.582443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.582443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.582443 (E_RNA) where: Base-Base interactions energy: -133.762 where: short stacking energy: -69.983 Base-Backbone interact. energy: -0.233 local terms energy: -74.587238 where: bonds (distance) C4'-P energy: -19.255 bonds (distance) P-C4' energy: -15.875 flat angles C4'-P-C4' energy: -17.383 flat angles P-C4'-P energy: -17.469 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: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -187.928310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.928310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.928310 (E_RNA) where: Base-Base interactions energy: -118.158 where: short stacking energy: -60.632 Base-Backbone interact. energy: -0.161 local terms energy: -69.609879 where: bonds (distance) C4'-P energy: -17.632 bonds (distance) P-C4' energy: -19.997 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -9.743 tors. eta vs tors. theta energy: -9.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -130.957432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.957432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.957432 (E_RNA) where: Base-Base interactions energy: -50.854 where: short stacking energy: -50.954 Base-Backbone interact. energy: -0.371 local terms energy: -79.732748 where: bonds (distance) C4'-P energy: -15.391 bonds (distance) P-C4' energy: -16.575 flat angles C4'-P-C4' energy: -18.875 flat angles P-C4'-P energy: -21.770 tors. eta vs tors. theta energy: -7.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -413.828217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.828217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.828217 (E_RNA) where: Base-Base interactions energy: -287.692 where: short stacking energy: -118.860 Base-Backbone interact. energy: -0.252 local terms energy: -125.884961 where: bonds (distance) C4'-P energy: -23.703 bonds (distance) P-C4' energy: -25.116 flat angles C4'-P-C4' energy: -26.895 flat angles P-C4'-P energy: -12.756 tors. eta vs tors. theta energy: -37.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -406.099897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.099897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.099897 (E_RNA) where: Base-Base interactions energy: -272.480 where: short stacking energy: -113.199 Base-Backbone interact. energy: -0.812 local terms energy: -132.807666 where: bonds (distance) C4'-P energy: -22.539 bonds (distance) P-C4' energy: -23.924 flat angles C4'-P-C4' energy: -26.904 flat angles P-C4'-P energy: -19.837 tors. eta vs tors. theta energy: -39.603 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: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -365.407527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.407527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.407527 (E_RNA) where: Base-Base interactions energy: -248.503 where: short stacking energy: -101.054 Base-Backbone interact. energy: -0.691 local terms energy: -116.214280 where: bonds (distance) C4'-P energy: -21.714 bonds (distance) P-C4' energy: -26.723 flat angles C4'-P-C4' energy: -22.309 flat angles P-C4'-P energy: -19.422 tors. eta vs tors. theta energy: -26.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -345.499082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.499082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.499082 (E_RNA) where: Base-Base interactions energy: -226.903 where: short stacking energy: -106.625 Base-Backbone interact. energy: -0.943 local terms energy: -117.653074 where: bonds (distance) C4'-P energy: -19.945 bonds (distance) P-C4' energy: -20.773 flat angles C4'-P-C4' energy: -24.413 flat angles P-C4'-P energy: -21.787 tors. eta vs tors. theta energy: -30.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -354.875430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.875430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.875430 (E_RNA) where: Base-Base interactions energy: -240.602 where: short stacking energy: -104.075 Base-Backbone interact. energy: -0.576 local terms energy: -113.696753 where: bonds (distance) C4'-P energy: -26.330 bonds (distance) P-C4' energy: -23.499 flat angles C4'-P-C4' energy: -21.038 flat angles P-C4'-P energy: -8.305 tors. eta vs tors. theta energy: -34.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -270.536804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.536804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.536804 (E_RNA) where: Base-Base interactions energy: -170.130 where: short stacking energy: -78.187 Base-Backbone interact. energy: -0.762 local terms energy: -99.644621 where: bonds (distance) C4'-P energy: -18.650 bonds (distance) P-C4' energy: -23.584 flat angles C4'-P-C4' energy: -20.965 flat angles P-C4'-P energy: -14.992 tors. eta vs tors. theta energy: -21.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -198.316755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.316755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.316755 (E_RNA) where: Base-Base interactions energy: -109.615 where: short stacking energy: -72.360 Base-Backbone interact. energy: -1.032 local terms energy: -87.669122 where: bonds (distance) C4'-P energy: -23.507 bonds (distance) P-C4' energy: -18.226 flat angles C4'-P-C4' energy: -18.405 flat angles P-C4'-P energy: -15.822 tors. eta vs tors. theta energy: -11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -191.879952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.879952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.879952 (E_RNA) where: Base-Base interactions energy: -111.621 where: short stacking energy: -54.187 Base-Backbone interact. energy: -0.648 local terms energy: -79.610674 where: bonds (distance) C4'-P energy: -16.145 bonds (distance) P-C4' energy: -15.846 flat angles C4'-P-C4' energy: -22.907 flat angles P-C4'-P energy: -11.391 tors. eta vs tors. theta energy: -13.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -188.476471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.476471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.476471 (E_RNA) where: Base-Base interactions energy: -115.395 where: short stacking energy: -59.974 Base-Backbone interact. energy: -0.758 local terms energy: -72.323863 where: bonds (distance) C4'-P energy: -21.465 bonds (distance) P-C4' energy: -18.510 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -10.000 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: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -113.891265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.891265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.891265 (E_RNA) where: Base-Base interactions energy: -47.272 where: short stacking energy: -36.721 Base-Backbone interact. energy: -0.010 local terms energy: -66.608738 where: bonds (distance) C4'-P energy: -17.530 bonds (distance) P-C4' energy: -19.030 flat angles C4'-P-C4' energy: -18.385 flat angles P-C4'-P energy: -6.799 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: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -413.975553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.975553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.975553 (E_RNA) where: Base-Base interactions energy: -281.552 where: short stacking energy: -124.796 Base-Backbone interact. energy: -0.709 local terms energy: -131.714129 where: bonds (distance) C4'-P energy: -24.011 bonds (distance) P-C4' energy: -23.574 flat angles C4'-P-C4' energy: -24.310 flat angles P-C4'-P energy: -21.398 tors. eta vs tors. theta energy: -38.420 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: 9 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -402.372225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.372225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.372225 (E_RNA) where: Base-Base interactions energy: -273.783 where: short stacking energy: -120.390 Base-Backbone interact. energy: -0.231 local terms energy: -128.358146 where: bonds (distance) C4'-P energy: -27.089 bonds (distance) P-C4' energy: -18.344 flat angles C4'-P-C4' energy: -25.214 flat angles P-C4'-P energy: -19.915 tors. eta vs tors. theta energy: -37.796 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: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -358.805201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.805201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.805201 (E_RNA) where: Base-Base interactions energy: -242.133 where: short stacking energy: -112.166 Base-Backbone interact. energy: 2.903 local terms energy: -119.575733 where: bonds (distance) C4'-P energy: -28.479 bonds (distance) P-C4' energy: -25.080 flat angles C4'-P-C4' energy: -22.213 flat angles P-C4'-P energy: -15.860 tors. eta vs tors. theta energy: -27.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -353.181113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.181113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.181113 (E_RNA) where: Base-Base interactions energy: -231.901 where: short stacking energy: -114.030 Base-Backbone interact. energy: -0.639 local terms energy: -120.640692 where: bonds (distance) C4'-P energy: -16.922 bonds (distance) P-C4' energy: -20.164 flat angles C4'-P-C4' energy: -27.233 flat angles P-C4'-P energy: -19.507 tors. eta vs tors. theta energy: -36.814 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: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -354.811190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.811190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.811190 (E_RNA) where: Base-Base interactions energy: -237.273 where: short stacking energy: -103.547 Base-Backbone interact. energy: -0.996 local terms energy: -116.541617 where: bonds (distance) C4'-P energy: -24.340 bonds (distance) P-C4' energy: -20.211 flat angles C4'-P-C4' energy: -22.626 flat angles P-C4'-P energy: -19.185 tors. eta vs tors. theta energy: -30.180 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: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -248.943819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.943819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.943819 (E_RNA) where: Base-Base interactions energy: -153.085 where: short stacking energy: -72.309 Base-Backbone interact. energy: 0.511 local terms energy: -96.369928 where: bonds (distance) C4'-P energy: -17.376 bonds (distance) P-C4' energy: -23.059 flat angles C4'-P-C4' energy: -23.956 flat angles P-C4'-P energy: -17.909 tors. eta vs tors. theta energy: -14.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -286.672678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.672678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.672678 (E_RNA) where: Base-Base interactions energy: -191.544 where: short stacking energy: -92.194 Base-Backbone interact. energy: -0.089 local terms energy: -95.039937 where: bonds (distance) C4'-P energy: -22.601 bonds (distance) P-C4' energy: -19.844 flat angles C4'-P-C4' energy: -24.459 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -22.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -181.987328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.987328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.987328 (E_RNA) where: Base-Base interactions energy: -108.947 where: short stacking energy: -60.580 Base-Backbone interact. energy: -0.765 local terms energy: -72.274987 where: bonds (distance) C4'-P energy: -17.371 bonds (distance) P-C4' energy: -18.476 flat angles C4'-P-C4' energy: -23.108 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -10.565 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: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -192.296429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.296429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.296429 (E_RNA) where: Base-Base interactions energy: -112.486 where: short stacking energy: -50.466 Base-Backbone interact. energy: -1.113 local terms energy: -78.697845 where: bonds (distance) C4'-P energy: -21.132 bonds (distance) P-C4' energy: -21.405 flat angles C4'-P-C4' energy: -17.311 flat angles P-C4'-P energy: -13.019 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -127.655178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.655178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.655178 (E_RNA) where: Base-Base interactions energy: -50.078 where: short stacking energy: -50.034 Base-Backbone interact. energy: -0.592 local terms energy: -76.985432 where: bonds (distance) C4'-P energy: -22.017 bonds (distance) P-C4' energy: -24.704 flat angles C4'-P-C4' energy: -18.197 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -409.458185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.458185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.458185 (E_RNA) where: Base-Base interactions energy: -282.194 where: short stacking energy: -122.285 Base-Backbone interact. energy: -0.399 local terms energy: -126.865946 where: bonds (distance) C4'-P energy: -23.056 bonds (distance) P-C4' energy: -20.553 flat angles C4'-P-C4' energy: -28.231 flat angles P-C4'-P energy: -16.990 tors. eta vs tors. theta energy: -38.036 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: 9 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -400.727219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.727219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.727219 (E_RNA) where: Base-Base interactions energy: -269.239 where: short stacking energy: -131.599 Base-Backbone interact. energy: -0.004 local terms energy: -131.484337 where: bonds (distance) C4'-P energy: -26.413 bonds (distance) P-C4' energy: -21.666 flat angles C4'-P-C4' energy: -24.268 flat angles P-C4'-P energy: -19.463 tors. eta vs tors. theta energy: -39.674 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: 293 Temperature: 1.000000 Total energy: -377.655416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.655416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.655416 (E_RNA) where: Base-Base interactions energy: -254.446 where: short stacking energy: -103.388 Base-Backbone interact. energy: -1.339 local terms energy: -121.870948 where: bonds (distance) C4'-P energy: -22.628 bonds (distance) P-C4' energy: -23.774 flat angles C4'-P-C4' energy: -25.452 flat angles P-C4'-P energy: -19.488 tors. eta vs tors. theta energy: -30.529 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: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -381.230482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.230482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.230482 (E_RNA) where: Base-Base interactions energy: -267.486 where: short stacking energy: -112.956 Base-Backbone interact. energy: -0.610 local terms energy: -113.134643 where: bonds (distance) C4'-P energy: -18.983 bonds (distance) P-C4' energy: -21.595 flat angles C4'-P-C4' energy: -25.124 flat angles P-C4'-P energy: -20.425 tors. eta vs tors. theta energy: -27.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -357.247567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.247567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.247567 (E_RNA) where: Base-Base interactions energy: -233.040 where: short stacking energy: -117.257 Base-Backbone interact. energy: 1.028 local terms energy: -125.234820 where: bonds (distance) C4'-P energy: -27.300 bonds (distance) P-C4' energy: -21.704 flat angles C4'-P-C4' energy: -22.021 flat angles P-C4'-P energy: -18.810 tors. eta vs tors. theta energy: -35.399 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: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -276.313640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.313640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.313640 (E_RNA) where: Base-Base interactions energy: -180.549 where: short stacking energy: -88.302 Base-Backbone interact. energy: -0.059 local terms energy: -95.705519 where: bonds (distance) C4'-P energy: -18.221 bonds (distance) P-C4' energy: -21.888 flat angles C4'-P-C4' energy: -18.825 flat angles P-C4'-P energy: -13.798 tors. eta vs tors. theta energy: -22.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -256.878001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.878001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.878001 (E_RNA) where: Base-Base interactions energy: -164.589 where: short stacking energy: -76.824 Base-Backbone interact. energy: -0.554 local terms energy: -91.735476 where: bonds (distance) C4'-P energy: -18.705 bonds (distance) P-C4' energy: -25.205 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -16.322 tors. eta vs tors. theta energy: -17.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -218.455403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.455403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.455403 (E_RNA) where: Base-Base interactions energy: -133.326 where: short stacking energy: -76.712 Base-Backbone interact. energy: -0.288 local terms energy: -84.840897 where: bonds (distance) C4'-P energy: -17.182 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -21.998 flat angles P-C4'-P energy: -10.249 tors. eta vs tors. theta energy: -16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -167.716881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.716881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.716881 (E_RNA) where: Base-Base interactions energy: -89.399 where: short stacking energy: -51.122 Base-Backbone interact. energy: -1.101 local terms energy: -77.216325 where: bonds (distance) C4'-P energy: -20.909 bonds (distance) P-C4' energy: -22.438 flat angles C4'-P-C4' energy: -20.237 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -163.829044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.829044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.829044 (E_RNA) where: Base-Base interactions energy: -97.336 where: short stacking energy: -56.803 Base-Backbone interact. energy: 0.434 local terms energy: -66.927006 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -27.206 flat angles C4'-P-C4' energy: -20.510 flat angles P-C4'-P energy: -7.552 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: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -416.126619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.126619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.126619 (E_RNA) where: Base-Base interactions energy: -289.265 where: short stacking energy: -118.891 Base-Backbone interact. energy: -0.300 local terms energy: -126.561356 where: bonds (distance) C4'-P energy: -24.286 bonds (distance) P-C4' energy: -19.178 flat angles C4'-P-C4' energy: -26.801 flat angles P-C4'-P energy: -19.103 tors. eta vs tors. theta energy: -37.194 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: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -387.894576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.894576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.894576 (E_RNA) where: Base-Base interactions energy: -263.241 where: short stacking energy: -120.380 Base-Backbone interact. energy: -0.006 local terms energy: -124.647800 where: bonds (distance) C4'-P energy: -23.007 bonds (distance) P-C4' energy: -24.068 flat angles C4'-P-C4' energy: -22.257 flat angles P-C4'-P energy: -18.670 tors. eta vs tors. theta energy: -36.646 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: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -365.513610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.513610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.513610 (E_RNA) where: Base-Base interactions energy: -236.850 where: short stacking energy: -109.616 Base-Backbone interact. energy: -0.003 local terms energy: -128.660324 where: bonds (distance) C4'-P energy: -21.798 bonds (distance) P-C4' energy: -23.085 flat angles C4'-P-C4' energy: -28.490 flat angles P-C4'-P energy: -21.608 tors. eta vs tors. theta energy: -33.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -350.430996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.430996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.430996 (E_RNA) where: Base-Base interactions energy: -244.740 where: short stacking energy: -106.670 Base-Backbone interact. energy: -0.393 local terms energy: -105.298128 where: bonds (distance) C4'-P energy: -17.767 bonds (distance) P-C4' energy: -21.349 flat angles C4'-P-C4' energy: -22.369 flat angles P-C4'-P energy: -16.937 tors. eta vs tors. theta energy: -26.876 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: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -340.323999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.323999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.323999 (E_RNA) where: Base-Base interactions energy: -218.136 where: short stacking energy: -96.432 Base-Backbone interact. energy: -0.169 local terms energy: -122.018518 where: bonds (distance) C4'-P energy: -25.114 bonds (distance) P-C4' energy: -22.869 flat angles C4'-P-C4' energy: -24.899 flat angles P-C4'-P energy: -18.532 tors. eta vs tors. theta energy: -30.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -291.707090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.707090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.707090 (E_RNA) where: Base-Base interactions energy: -186.797 where: short stacking energy: -99.906 Base-Backbone interact. energy: 1.304 local terms energy: -106.214497 where: bonds (distance) C4'-P energy: -20.524 bonds (distance) P-C4' energy: -23.671 flat angles C4'-P-C4' energy: -20.560 flat angles P-C4'-P energy: -17.628 tors. eta vs tors. theta energy: -23.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -198.989682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.989682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.989682 (E_RNA) where: Base-Base interactions energy: -107.554 where: short stacking energy: -55.380 Base-Backbone interact. energy: 1.436 local terms energy: -92.871642 where: bonds (distance) C4'-P energy: -20.799 bonds (distance) P-C4' energy: -19.535 flat angles C4'-P-C4' energy: -22.954 flat angles P-C4'-P energy: -17.100 tors. eta vs tors. theta energy: -12.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -243.275739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.275739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.275739 (E_RNA) where: Base-Base interactions energy: -155.615 where: short stacking energy: -68.390 Base-Backbone interact. energy: -0.218 local terms energy: -87.442608 where: bonds (distance) C4'-P energy: -18.972 bonds (distance) P-C4' energy: -19.956 flat angles C4'-P-C4' energy: -21.185 flat angles P-C4'-P energy: -14.554 tors. eta vs tors. theta energy: -12.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -187.342090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.342090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.342090 (E_RNA) where: Base-Base interactions energy: -108.952 where: short stacking energy: -59.027 Base-Backbone interact. energy: -1.151 local terms energy: -77.239400 where: bonds (distance) C4'-P energy: -21.356 bonds (distance) P-C4' energy: -20.523 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -14.398 tors. eta vs tors. theta energy: -7.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -179.451013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.451013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.451013 (E_RNA) where: Base-Base interactions energy: -98.515 where: short stacking energy: -57.859 Base-Backbone interact. energy: -1.379 local terms energy: -79.556855 where: bonds (distance) C4'-P energy: -16.304 bonds (distance) P-C4' energy: -20.194 flat angles C4'-P-C4' energy: -17.871 flat angles P-C4'-P energy: -15.789 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -407.511665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.511665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.511665 (E_RNA) where: Base-Base interactions energy: -282.854 where: short stacking energy: -123.723 Base-Backbone interact. energy: -0.716 local terms energy: -123.941764 where: bonds (distance) C4'-P energy: -22.256 bonds (distance) P-C4' energy: -19.133 flat angles C4'-P-C4' energy: -27.802 flat angles P-C4'-P energy: -17.834 tors. eta vs tors. theta energy: -36.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -394.048581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.048581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.048581 (E_RNA) where: Base-Base interactions energy: -266.656 where: short stacking energy: -109.271 Base-Backbone interact. energy: -0.671 local terms energy: -126.721414 where: bonds (distance) C4'-P energy: -26.405 bonds (distance) P-C4' energy: -23.610 flat angles C4'-P-C4' energy: -24.983 flat angles P-C4'-P energy: -17.370 tors. eta vs tors. theta energy: -34.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -370.667455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.667455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.667455 (E_RNA) where: Base-Base interactions energy: -252.340 where: short stacking energy: -106.297 Base-Backbone interact. energy: -0.021 local terms energy: -118.306820 where: bonds (distance) C4'-P energy: -25.807 bonds (distance) P-C4' energy: -20.062 flat angles C4'-P-C4' energy: -25.157 flat angles P-C4'-P energy: -15.292 tors. eta vs tors. theta energy: -31.989 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: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -355.697357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.697357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.697357 (E_RNA) where: Base-Base interactions energy: -231.971 where: short stacking energy: -101.069 Base-Backbone interact. energy: -0.047 local terms energy: -123.678858 where: bonds (distance) C4'-P energy: -19.039 bonds (distance) P-C4' energy: -27.661 flat angles C4'-P-C4' energy: -29.623 flat angles P-C4'-P energy: -17.994 tors. eta vs tors. theta energy: -29.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -355.339532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.339532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.339532 (E_RNA) where: Base-Base interactions energy: -234.116 where: short stacking energy: -112.746 Base-Backbone interact. energy: -0.091 local terms energy: -121.132157 where: bonds (distance) C4'-P energy: -23.802 bonds (distance) P-C4' energy: -21.757 flat angles C4'-P-C4' energy: -23.433 flat angles P-C4'-P energy: -19.519 tors. eta vs tors. theta energy: -32.621 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: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -231.992274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.992274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.992274 (E_RNA) where: Base-Base interactions energy: -126.921 where: short stacking energy: -80.517 Base-Backbone interact. energy: -0.260 local terms energy: -104.811758 where: bonds (distance) C4'-P energy: -24.070 bonds (distance) P-C4' energy: -24.483 flat angles C4'-P-C4' energy: -23.139 flat angles P-C4'-P energy: -19.676 tors. eta vs tors. theta energy: -13.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -264.957869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.957869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.957869 (E_RNA) where: Base-Base interactions energy: -165.087 where: short stacking energy: -76.673 Base-Backbone interact. energy: -0.953 local terms energy: -98.918574 where: bonds (distance) C4'-P energy: -18.042 bonds (distance) P-C4' energy: -26.889 flat angles C4'-P-C4' energy: -18.529 flat angles P-C4'-P energy: -13.801 tors. eta vs tors. theta energy: -21.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -233.373672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.373672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.373672 (E_RNA) where: Base-Base interactions energy: -152.743 where: short stacking energy: -63.874 Base-Backbone interact. energy: 1.498 local terms energy: -82.128509 where: bonds (distance) C4'-P energy: -19.653 bonds (distance) P-C4' energy: -24.828 flat angles C4'-P-C4' energy: -19.900 flat angles P-C4'-P energy: -8.581 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: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -190.547323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.547323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.547323 (E_RNA) where: Base-Base interactions energy: -99.280 where: short stacking energy: -51.328 Base-Backbone interact. energy: -1.139 local terms energy: -90.128610 where: bonds (distance) C4'-P energy: -23.589 bonds (distance) P-C4' energy: -23.298 flat angles C4'-P-C4' energy: -17.602 flat angles P-C4'-P energy: -17.368 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: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -179.391483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.391483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.391483 (E_RNA) where: Base-Base interactions energy: -96.542 where: short stacking energy: -52.207 Base-Backbone interact. energy: -0.497 local terms energy: -82.352415 where: bonds (distance) C4'-P energy: -19.143 bonds (distance) P-C4' energy: -24.388 flat angles C4'-P-C4' energy: -20.725 flat angles P-C4'-P energy: -11.853 tors. eta vs tors. theta energy: -6.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -406.465503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.465503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.465503 (E_RNA) where: Base-Base interactions energy: -275.588 where: short stacking energy: -122.276 Base-Backbone interact. energy: -1.443 local terms energy: -129.434690 where: bonds (distance) C4'-P energy: -21.189 bonds (distance) P-C4' energy: -27.424 flat angles C4'-P-C4' energy: -30.849 flat angles P-C4'-P energy: -17.396 tors. eta vs tors. theta energy: -32.577 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: 9 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -396.115311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.115311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.115311 (E_RNA) where: Base-Base interactions energy: -267.287 where: short stacking energy: -113.394 Base-Backbone interact. energy: -1.122 local terms energy: -127.705449 where: bonds (distance) C4'-P energy: -22.386 bonds (distance) P-C4' energy: -20.906 flat angles C4'-P-C4' energy: -27.931 flat angles P-C4'-P energy: -21.808 tors. eta vs tors. theta energy: -34.674 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: 296 Temperature: 1.000000 Total energy: -371.869332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.869332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.869332 (E_RNA) where: Base-Base interactions energy: -256.320 where: short stacking energy: -105.441 Base-Backbone interact. energy: -0.440 local terms energy: -115.109583 where: bonds (distance) C4'-P energy: -27.245 bonds (distance) P-C4' energy: -21.636 flat angles C4'-P-C4' energy: -18.362 flat angles P-C4'-P energy: -15.435 tors. eta vs tors. theta energy: -32.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -356.622412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.622412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.622412 (E_RNA) where: Base-Base interactions energy: -235.214 where: short stacking energy: -114.471 Base-Backbone interact. energy: -0.133 local terms energy: -121.275706 where: bonds (distance) C4'-P energy: -16.988 bonds (distance) P-C4' energy: -25.821 flat angles C4'-P-C4' energy: -26.737 flat angles P-C4'-P energy: -19.799 tors. eta vs tors. theta energy: -31.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -353.811888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.811888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.811888 (E_RNA) where: Base-Base interactions energy: -238.784 where: short stacking energy: -105.745 Base-Backbone interact. energy: -0.440 local terms energy: -114.588697 where: bonds (distance) C4'-P energy: -23.735 bonds (distance) P-C4' energy: -21.725 flat angles C4'-P-C4' energy: -23.315 flat angles P-C4'-P energy: -20.186 tors. eta vs tors. theta energy: -25.627 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: 296 Temperature: 1.150000 Total energy: -225.159634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.159634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.159634 (E_RNA) where: Base-Base interactions energy: -129.290 where: short stacking energy: -63.779 Base-Backbone interact. energy: -0.451 local terms energy: -95.418208 where: bonds (distance) C4'-P energy: -28.543 bonds (distance) P-C4' energy: -21.573 flat angles C4'-P-C4' energy: -17.798 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -15.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -222.453276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.453276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.453276 (E_RNA) where: Base-Base interactions energy: -140.055 where: short stacking energy: -64.943 Base-Backbone interact. energy: 0.088 local terms energy: -82.485982 where: bonds (distance) C4'-P energy: -17.360 bonds (distance) P-C4' energy: -23.529 flat angles C4'-P-C4' energy: -24.483 flat angles P-C4'-P energy: -13.332 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -245.382187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.382187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.382187 (E_RNA) where: Base-Base interactions energy: -154.704 where: short stacking energy: -69.926 Base-Backbone interact. energy: -0.433 local terms energy: -90.245340 where: bonds (distance) C4'-P energy: -18.120 bonds (distance) P-C4' energy: -18.676 flat angles C4'-P-C4' energy: -20.362 flat angles P-C4'-P energy: -21.411 tors. eta vs tors. theta energy: -11.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -208.680379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.680379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.680379 (E_RNA) where: Base-Base interactions energy: -121.551 where: short stacking energy: -73.211 Base-Backbone interact. energy: 0.375 local terms energy: -87.504643 where: bonds (distance) C4'-P energy: -20.936 bonds (distance) P-C4' energy: -24.967 flat angles C4'-P-C4' energy: -21.986 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -14.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -161.706846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.706846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.706846 (E_RNA) where: Base-Base interactions energy: -82.959 where: short stacking energy: -37.412 Base-Backbone interact. energy: -0.086 local terms energy: -78.660941 where: bonds (distance) C4'-P energy: -18.376 bonds (distance) P-C4' energy: -22.454 flat angles C4'-P-C4' energy: -24.246 flat angles P-C4'-P energy: -13.630 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: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -402.699112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.699112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.699112 (E_RNA) where: Base-Base interactions energy: -271.818 where: short stacking energy: -114.578 Base-Backbone interact. energy: -0.619 local terms energy: -130.261905 where: bonds (distance) C4'-P energy: -25.158 bonds (distance) P-C4' energy: -30.176 flat angles C4'-P-C4' energy: -26.380 flat angles P-C4'-P energy: -17.659 tors. eta vs tors. theta energy: -30.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -401.120054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.120054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.120054 (E_RNA) where: Base-Base interactions energy: -271.868 where: short stacking energy: -123.342 Base-Backbone interact. energy: -2.041 local terms energy: -127.211340 where: bonds (distance) C4'-P energy: -23.053 bonds (distance) P-C4' energy: -28.915 flat angles C4'-P-C4' energy: -24.469 flat angles P-C4'-P energy: -18.146 tors. eta vs tors. theta energy: -32.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -363.413172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.413172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.413172 (E_RNA) where: Base-Base interactions energy: -246.966 where: short stacking energy: -107.660 Base-Backbone interact. energy: -0.223 local terms energy: -116.223722 where: bonds (distance) C4'-P energy: -19.302 bonds (distance) P-C4' energy: -22.975 flat angles C4'-P-C4' energy: -25.303 flat angles P-C4'-P energy: -22.018 tors. eta vs tors. theta energy: -26.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -363.593043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.593043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.593043 (E_RNA) where: Base-Base interactions energy: -242.817 where: short stacking energy: -135.497 Base-Backbone interact. energy: -0.651 local terms energy: -120.125036 where: bonds (distance) C4'-P energy: -23.309 bonds (distance) P-C4' energy: -17.461 flat angles C4'-P-C4' energy: -26.759 flat angles P-C4'-P energy: -14.104 tors. eta vs tors. theta energy: -38.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -345.027870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.027870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.027870 (E_RNA) where: Base-Base interactions energy: -236.656 where: short stacking energy: -92.321 Base-Backbone interact. energy: -1.245 local terms energy: -107.126933 where: bonds (distance) C4'-P energy: -23.302 bonds (distance) P-C4' energy: -20.683 flat angles C4'-P-C4' energy: -21.597 flat angles P-C4'-P energy: -14.717 tors. eta vs tors. theta energy: -26.829 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: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -244.933613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.933613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.933613 (E_RNA) where: Base-Base interactions energy: -156.158 where: short stacking energy: -72.712 Base-Backbone interact. energy: -0.501 local terms energy: -88.274353 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -24.880 flat angles C4'-P-C4' energy: -25.134 flat angles P-C4'-P energy: -15.610 tors. eta vs tors. theta energy: -8.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -265.492449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.492449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.492449 (E_RNA) where: Base-Base interactions energy: -163.567 where: short stacking energy: -78.099 Base-Backbone interact. energy: -0.018 local terms energy: -101.907723 where: bonds (distance) C4'-P energy: -21.353 bonds (distance) P-C4' energy: -24.384 flat angles C4'-P-C4' energy: -28.262 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -17.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -218.180313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.180313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.180313 (E_RNA) where: Base-Base interactions energy: -123.383 where: short stacking energy: -59.747 Base-Backbone interact. energy: -1.270 local terms energy: -93.527648 where: bonds (distance) C4'-P energy: -24.881 bonds (distance) P-C4' energy: -21.338 flat angles C4'-P-C4' energy: -24.520 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -11.151 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: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -205.203602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.203602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.203602 (E_RNA) where: Base-Base interactions energy: -119.583 where: short stacking energy: -65.323 Base-Backbone interact. energy: -0.196 local terms energy: -85.423738 where: bonds (distance) C4'-P energy: -16.167 bonds (distance) P-C4' energy: -23.627 flat angles C4'-P-C4' energy: -18.688 flat angles P-C4'-P energy: -12.751 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -161.815270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.815270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.815270 (E_RNA) where: Base-Base interactions energy: -85.167 where: short stacking energy: -37.847 Base-Backbone interact. energy: -1.052 local terms energy: -75.596233 where: bonds (distance) C4'-P energy: -14.988 bonds (distance) P-C4' energy: -23.034 flat angles C4'-P-C4' energy: -19.949 flat angles P-C4'-P energy: -17.256 tors. eta vs tors. theta energy: -0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -404.162347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.162347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.162347 (E_RNA) where: Base-Base interactions energy: -292.110 where: short stacking energy: -111.612 Base-Backbone interact. energy: -0.194 local terms energy: -111.858411 where: bonds (distance) C4'-P energy: -24.201 bonds (distance) P-C4' energy: -25.424 flat angles C4'-P-C4' energy: -24.040 flat angles P-C4'-P energy: -8.431 tors. eta vs tors. theta energy: -29.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -408.835221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.835221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.835221 (E_RNA) where: Base-Base interactions energy: -275.817 where: short stacking energy: -120.832 Base-Backbone interact. energy: -0.037 local terms energy: -132.981725 where: bonds (distance) C4'-P energy: -20.836 bonds (distance) P-C4' energy: -26.549 flat angles C4'-P-C4' energy: -28.056 flat angles P-C4'-P energy: -19.880 tors. eta vs tors. theta energy: -37.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -350.353018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.353018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.353018 (E_RNA) where: Base-Base interactions energy: -238.683 where: short stacking energy: -96.965 Base-Backbone interact. energy: 2.421 local terms energy: -114.091350 where: bonds (distance) C4'-P energy: -23.855 bonds (distance) P-C4' energy: -23.588 flat angles C4'-P-C4' energy: -28.803 flat angles P-C4'-P energy: -15.160 tors. eta vs tors. theta energy: -22.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -361.675101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.675101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.675101 (E_RNA) where: Base-Base interactions energy: -243.096 where: short stacking energy: -121.751 Base-Backbone interact. energy: 0.669 local terms energy: -119.248159 where: bonds (distance) C4'-P energy: -19.380 bonds (distance) P-C4' energy: -25.676 flat angles C4'-P-C4' energy: -25.305 flat angles P-C4'-P energy: -13.610 tors. eta vs tors. theta energy: -35.277 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: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -331.786577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.786577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.786577 (E_RNA) where: Base-Base interactions energy: -221.890 where: short stacking energy: -95.915 Base-Backbone interact. energy: -0.097 local terms energy: -109.799214 where: bonds (distance) C4'-P energy: -21.189 bonds (distance) P-C4' energy: -24.735 flat angles C4'-P-C4' energy: -24.707 flat angles P-C4'-P energy: -16.574 tors. eta vs tors. theta energy: -22.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -242.822632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.822632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.822632 (E_RNA) where: Base-Base interactions energy: -145.823 where: short stacking energy: -78.021 Base-Backbone interact. energy: -0.078 local terms energy: -96.921691 where: bonds (distance) C4'-P energy: -23.475 bonds (distance) P-C4' energy: -20.775 flat angles C4'-P-C4' energy: -23.409 flat angles P-C4'-P energy: -14.769 tors. eta vs tors. theta energy: -14.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -267.768699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.768699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.768699 (E_RNA) where: Base-Base interactions energy: -176.110 where: short stacking energy: -90.345 Base-Backbone interact. energy: 1.714 local terms energy: -93.372828 where: bonds (distance) C4'-P energy: -22.087 bonds (distance) P-C4' energy: -22.617 flat angles C4'-P-C4' energy: -21.454 flat angles P-C4'-P energy: -13.014 tors. eta vs tors. theta energy: -14.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -205.533636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.533636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.533636 (E_RNA) where: Base-Base interactions energy: -128.218 where: short stacking energy: -56.319 Base-Backbone interact. energy: -1.092 local terms energy: -76.223686 where: bonds (distance) C4'-P energy: -6.700 bonds (distance) P-C4' energy: -19.427 flat angles C4'-P-C4' energy: -23.459 flat angles P-C4'-P energy: -11.930 tors. eta vs tors. theta energy: -14.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -192.198379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.198379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.198379 (E_RNA) where: Base-Base interactions energy: -108.541 where: short stacking energy: -57.500 Base-Backbone interact. energy: -0.279 local terms energy: -83.378643 where: bonds (distance) C4'-P energy: -24.588 bonds (distance) P-C4' energy: -21.798 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -9.273 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: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -160.288441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.288441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.288441 (E_RNA) where: Base-Base interactions energy: -95.603 where: short stacking energy: -39.446 Base-Backbone interact. energy: 1.638 local terms energy: -66.323089 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -20.414 flat angles C4'-P-C4' energy: -21.629 flat angles P-C4'-P energy: -10.597 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -411.672956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.672956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.672956 (E_RNA) where: Base-Base interactions energy: -300.316 where: short stacking energy: -123.238 Base-Backbone interact. energy: -0.029 local terms energy: -111.328127 where: bonds (distance) C4'-P energy: -16.965 bonds (distance) P-C4' energy: -22.459 flat angles C4'-P-C4' energy: -24.147 flat angles P-C4'-P energy: -13.595 tors. eta vs tors. theta energy: -34.162 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: 2, replica: 9 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -408.424900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.424900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.424900 (E_RNA) where: Base-Base interactions energy: -274.057 where: short stacking energy: -119.908 Base-Backbone interact. energy: -0.252 local terms energy: -134.116160 where: bonds (distance) C4'-P energy: -28.019 bonds (distance) P-C4' energy: -24.403 flat angles C4'-P-C4' energy: -27.774 flat angles P-C4'-P energy: -18.832 tors. eta vs tors. theta energy: -35.088 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: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -355.579843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.579843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.579843 (E_RNA) where: Base-Base interactions energy: -246.761 where: short stacking energy: -100.451 Base-Backbone interact. energy: -0.196 local terms energy: -108.623520 where: bonds (distance) C4'-P energy: -19.437 bonds (distance) P-C4' energy: -27.220 flat angles C4'-P-C4' energy: -23.820 flat angles P-C4'-P energy: -17.347 tors. eta vs tors. theta energy: -20.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -356.671568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.671568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.671568 (E_RNA) where: Base-Base interactions energy: -240.123 where: short stacking energy: -106.421 Base-Backbone interact. energy: -0.019 local terms energy: -116.529580 where: bonds (distance) C4'-P energy: -20.382 bonds (distance) P-C4' energy: -26.818 flat angles C4'-P-C4' energy: -24.478 flat angles P-C4'-P energy: -15.168 tors. eta vs tors. theta energy: -29.682 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: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -344.031997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.031997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.031997 (E_RNA) where: Base-Base interactions energy: -220.020 where: short stacking energy: -103.804 Base-Backbone interact. energy: -0.427 local terms energy: -123.585164 where: bonds (distance) C4'-P energy: -24.141 bonds (distance) P-C4' energy: -25.693 flat angles C4'-P-C4' energy: -27.116 flat angles P-C4'-P energy: -17.178 tors. eta vs tors. theta energy: -29.457 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: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -261.224888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.224888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.224888 (E_RNA) where: Base-Base interactions energy: -163.937 where: short stacking energy: -78.847 Base-Backbone interact. energy: -0.823 local terms energy: -96.465221 where: bonds (distance) C4'-P energy: -23.752 bonds (distance) P-C4' energy: -20.388 flat angles C4'-P-C4' energy: -22.661 flat angles P-C4'-P energy: -17.670 tors. eta vs tors. theta energy: -11.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -251.054288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.054288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.054288 (E_RNA) where: Base-Base interactions energy: -164.422 where: short stacking energy: -90.577 Base-Backbone interact. energy: 1.173 local terms energy: -87.805254 where: bonds (distance) C4'-P energy: -17.137 bonds (distance) P-C4' energy: -18.495 flat angles C4'-P-C4' energy: -20.351 flat angles P-C4'-P energy: -13.109 tors. eta vs tors. theta energy: -18.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -204.836253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.836253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.836253 (E_RNA) where: Base-Base interactions energy: -108.743 where: short stacking energy: -55.963 Base-Backbone interact. energy: -0.657 local terms energy: -95.436857 where: bonds (distance) C4'-P energy: -22.696 bonds (distance) P-C4' energy: -24.732 flat angles C4'-P-C4' energy: -15.361 flat angles P-C4'-P energy: -15.904 tors. eta vs tors. theta energy: -16.744 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: 8 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -186.567343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.567343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.567343 (E_RNA) where: Base-Base interactions energy: -111.205 where: short stacking energy: -63.905 Base-Backbone interact. energy: -0.523 local terms energy: -74.838743 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -21.172 flat angles P-C4'-P energy: -15.853 tors. eta vs tors. theta energy: -10.204 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: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -181.815461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.815461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.815461 (E_RNA) where: Base-Base interactions energy: -104.327 where: short stacking energy: -53.451 Base-Backbone interact. energy: -0.321 local terms energy: -77.167786 where: bonds (distance) C4'-P energy: -20.970 bonds (distance) P-C4' energy: -21.219 flat angles C4'-P-C4' energy: -23.357 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -418.654730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.654730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.654730 (E_RNA) where: Base-Base interactions energy: -296.185 where: short stacking energy: -118.819 Base-Backbone interact. energy: -0.914 local terms energy: -121.555163 where: bonds (distance) C4'-P energy: -17.827 bonds (distance) P-C4' energy: -27.195 flat angles C4'-P-C4' energy: -21.182 flat angles P-C4'-P energy: -19.812 tors. eta vs tors. theta energy: -35.539 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: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -419.108639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.108639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.108639 (E_RNA) where: Base-Base interactions energy: -291.681 where: short stacking energy: -118.369 Base-Backbone interact. energy: 0.435 local terms energy: -127.862099 where: bonds (distance) C4'-P energy: -25.228 bonds (distance) P-C4' energy: -28.453 flat angles C4'-P-C4' energy: -25.977 flat angles P-C4'-P energy: -16.595 tors. eta vs tors. theta energy: -31.609 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: 300 Temperature: 1.000000 Total energy: -394.972431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.972431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.972431 (E_RNA) where: Base-Base interactions energy: -279.327 where: short stacking energy: -110.415 Base-Backbone interact. energy: -0.156 local terms energy: -115.490141 where: bonds (distance) C4'-P energy: -22.130 bonds (distance) P-C4' energy: -25.572 flat angles C4'-P-C4' energy: -23.031 flat angles P-C4'-P energy: -17.721 tors. eta vs tors. theta energy: -27.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -356.831429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.831429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.831429 (E_RNA) where: Base-Base interactions energy: -237.776 where: short stacking energy: -103.807 Base-Backbone interact. energy: -1.147 local terms energy: -117.908260 where: bonds (distance) C4'-P energy: -21.610 bonds (distance) P-C4' energy: -19.669 flat angles C4'-P-C4' energy: -27.439 flat angles P-C4'-P energy: -14.424 tors. eta vs tors. theta energy: -34.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -349.989604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.989604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.989604 (E_RNA) where: Base-Base interactions energy: -229.362 where: short stacking energy: -107.690 Base-Backbone interact. energy: -1.186 local terms energy: -119.441198 where: bonds (distance) C4'-P energy: -20.617 bonds (distance) P-C4' energy: -24.739 flat angles C4'-P-C4' energy: -26.344 flat angles P-C4'-P energy: -15.308 tors. eta vs tors. theta energy: -32.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -291.202128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.202128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.202128 (E_RNA) where: Base-Base interactions energy: -193.301 where: short stacking energy: -83.061 Base-Backbone interact. energy: -0.079 local terms energy: -97.822845 where: bonds (distance) C4'-P energy: -21.077 bonds (distance) P-C4' energy: -25.250 flat angles C4'-P-C4' energy: -20.240 flat angles P-C4'-P energy: -11.677 tors. eta vs tors. theta energy: -19.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -252.824166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.824166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.824166 (E_RNA) where: Base-Base interactions energy: -154.247 where: short stacking energy: -85.325 Base-Backbone interact. energy: -0.432 local terms energy: -98.145746 where: bonds (distance) C4'-P energy: -21.013 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -26.388 flat angles P-C4'-P energy: -18.606 tors. eta vs tors. theta energy: -19.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -207.338326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.338326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.338326 (E_RNA) where: Base-Base interactions energy: -111.102 where: short stacking energy: -64.938 Base-Backbone interact. energy: -0.951 local terms energy: -95.285834 where: bonds (distance) C4'-P energy: -23.077 bonds (distance) P-C4' energy: -16.960 flat angles C4'-P-C4' energy: -24.298 flat angles P-C4'-P energy: -17.269 tors. eta vs tors. theta energy: -13.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -179.261780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.261780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.261780 (E_RNA) where: Base-Base interactions energy: -101.543 where: short stacking energy: -52.215 Base-Backbone interact. energy: 0.372 local terms energy: -78.091265 where: bonds (distance) C4'-P energy: -18.137 bonds (distance) P-C4' energy: -19.479 flat angles C4'-P-C4' energy: -21.683 flat angles P-C4'-P energy: -15.887 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: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -201.111970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.111970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.111970 (E_RNA) where: Base-Base interactions energy: -120.301 where: short stacking energy: -55.663 Base-Backbone interact. energy: -0.227 local terms energy: -80.583849 where: bonds (distance) C4'-P energy: -23.840 bonds (distance) P-C4' energy: -18.953 flat angles C4'-P-C4' energy: -21.345 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -8.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -407.625521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.625521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.625521 (E_RNA) where: Base-Base interactions energy: -282.605 where: short stacking energy: -124.560 Base-Backbone interact. energy: -0.064 local terms energy: -124.955790 where: bonds (distance) C4'-P energy: -20.780 bonds (distance) P-C4' energy: -25.302 flat angles C4'-P-C4' energy: -23.707 flat angles P-C4'-P energy: -19.209 tors. eta vs tors. theta energy: -35.957 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: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -421.859633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.859633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.859633 (E_RNA) where: Base-Base interactions energy: -302.441 where: short stacking energy: -122.571 Base-Backbone interact. energy: -0.011 local terms energy: -119.408492 where: bonds (distance) C4'-P energy: -26.645 bonds (distance) P-C4' energy: -18.838 flat angles C4'-P-C4' energy: -26.506 flat angles P-C4'-P energy: -11.404 tors. eta vs tors. theta energy: -36.016 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: 301 Temperature: 1.000000 Total energy: -387.222950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.222950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.222950 (E_RNA) where: Base-Base interactions energy: -274.234 where: short stacking energy: -120.891 Base-Backbone interact. energy: -0.576 local terms energy: -112.412537 where: bonds (distance) C4'-P energy: -18.047 bonds (distance) P-C4' energy: -22.102 flat angles C4'-P-C4' energy: -24.089 flat angles P-C4'-P energy: -16.097 tors. eta vs tors. theta energy: -32.078 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: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -343.225392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.225392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.225392 (E_RNA) where: Base-Base interactions energy: -235.047 where: short stacking energy: -110.379 Base-Backbone interact. energy: -0.431 local terms energy: -107.747977 where: bonds (distance) C4'-P energy: -18.933 bonds (distance) P-C4' energy: -26.773 flat angles C4'-P-C4' energy: -19.217 flat angles P-C4'-P energy: -15.665 tors. eta vs tors. theta energy: -27.159 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: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -353.736626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.736626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.736626 (E_RNA) where: Base-Base interactions energy: -231.927 where: short stacking energy: -114.309 Base-Backbone interact. energy: -0.132 local terms energy: -121.677448 where: bonds (distance) C4'-P energy: -26.385 bonds (distance) P-C4' energy: -23.405 flat angles C4'-P-C4' energy: -24.592 flat angles P-C4'-P energy: -15.358 tors. eta vs tors. theta energy: -31.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -308.844830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.844830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.844830 (E_RNA) where: Base-Base interactions energy: -205.978 where: short stacking energy: -84.960 Base-Backbone interact. energy: -1.029 local terms energy: -101.837161 where: bonds (distance) C4'-P energy: -23.855 bonds (distance) P-C4' energy: -21.263 flat angles C4'-P-C4' energy: -24.603 flat angles P-C4'-P energy: -12.323 tors. eta vs tors. theta energy: -19.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -241.173805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.173805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.173805 (E_RNA) where: Base-Base interactions energy: -151.577 where: short stacking energy: -73.222 Base-Backbone interact. energy: -0.628 local terms energy: -88.969248 where: bonds (distance) C4'-P energy: -20.825 bonds (distance) P-C4' energy: -25.120 flat angles C4'-P-C4' energy: -22.879 flat angles P-C4'-P energy: -10.609 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: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -226.035267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.035267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.035267 (E_RNA) where: Base-Base interactions energy: -140.402 where: short stacking energy: -66.135 Base-Backbone interact. energy: -0.223 local terms energy: -85.410151 where: bonds (distance) C4'-P energy: -20.323 bonds (distance) P-C4' energy: -21.760 flat angles C4'-P-C4' energy: -18.922 flat angles P-C4'-P energy: -14.452 tors. eta vs tors. theta energy: -9.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -190.446824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.446824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.446824 (E_RNA) where: Base-Base interactions energy: -109.207 where: short stacking energy: -55.810 Base-Backbone interact. energy: -0.729 local terms energy: -80.510738 where: bonds (distance) C4'-P energy: -18.038 bonds (distance) P-C4' energy: -20.362 flat angles C4'-P-C4' energy: -19.003 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -13.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -201.464966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.464966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.464966 (E_RNA) where: Base-Base interactions energy: -125.951 where: short stacking energy: -68.574 Base-Backbone interact. energy: 0.165 local terms energy: -75.679198 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -21.292 flat angles C4'-P-C4' energy: -15.864 flat angles P-C4'-P energy: -15.923 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -413.816858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.816858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.816858 (E_RNA) where: Base-Base interactions energy: -290.591 where: short stacking energy: -115.184 Base-Backbone interact. energy: -0.298 local terms energy: -122.927845 where: bonds (distance) C4'-P energy: -23.384 bonds (distance) P-C4' energy: -26.487 flat angles C4'-P-C4' energy: -24.817 flat angles P-C4'-P energy: -14.180 tors. eta vs tors. theta energy: -34.061 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: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -396.515987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.515987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.515987 (E_RNA) where: Base-Base interactions energy: -272.784 where: short stacking energy: -116.293 Base-Backbone interact. energy: 0.656 local terms energy: -124.388591 where: bonds (distance) C4'-P energy: -19.216 bonds (distance) P-C4' energy: -26.014 flat angles C4'-P-C4' energy: -27.930 flat angles P-C4'-P energy: -15.025 tors. eta vs tors. theta energy: -36.202 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: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -370.269793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.269793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.269793 (E_RNA) where: Base-Base interactions energy: -238.647 where: short stacking energy: -116.134 Base-Backbone interact. energy: -1.670 local terms energy: -129.953224 where: bonds (distance) C4'-P energy: -26.660 bonds (distance) P-C4' energy: -21.202 flat angles C4'-P-C4' energy: -26.427 flat angles P-C4'-P energy: -19.098 tors. eta vs tors. theta energy: -36.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -370.879982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.879982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.879982 (E_RNA) where: Base-Base interactions energy: -255.926 where: short stacking energy: -104.206 Base-Backbone interact. energy: -0.036 local terms energy: -114.918134 where: bonds (distance) C4'-P energy: -16.399 bonds (distance) P-C4' energy: -26.428 flat angles C4'-P-C4' energy: -26.196 flat angles P-C4'-P energy: -17.401 tors. eta vs tors. theta energy: -28.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -367.774188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.774188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.774188 (E_RNA) where: Base-Base interactions energy: -241.188 where: short stacking energy: -108.130 Base-Backbone interact. energy: -1.192 local terms energy: -125.393910 where: bonds (distance) C4'-P energy: -23.612 bonds (distance) P-C4' energy: -26.838 flat angles C4'-P-C4' energy: -25.648 flat angles P-C4'-P energy: -19.447 tors. eta vs tors. theta energy: -29.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -329.247040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.247040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.247040 (E_RNA) where: Base-Base interactions energy: -215.240 where: short stacking energy: -95.059 Base-Backbone interact. energy: -0.433 local terms energy: -113.573333 where: bonds (distance) C4'-P energy: -15.706 bonds (distance) P-C4' energy: -21.738 flat angles C4'-P-C4' energy: -27.395 flat angles P-C4'-P energy: -20.988 tors. eta vs tors. theta energy: -27.746 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: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -222.118519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.118519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.118519 (E_RNA) where: Base-Base interactions energy: -142.914 where: short stacking energy: -57.827 Base-Backbone interact. energy: -0.502 local terms energy: -78.702399 where: bonds (distance) C4'-P energy: -18.578 bonds (distance) P-C4' energy: -19.580 flat angles C4'-P-C4' energy: -26.569 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -5.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -226.791966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.791966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.791966 (E_RNA) where: Base-Base interactions energy: -137.878 where: short stacking energy: -66.351 Base-Backbone interact. energy: -0.747 local terms energy: -88.166617 where: bonds (distance) C4'-P energy: -22.551 bonds (distance) P-C4' energy: -20.860 flat angles C4'-P-C4' energy: -25.469 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -15.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -183.516122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.516122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.516122 (E_RNA) where: Base-Base interactions energy: -97.020 where: short stacking energy: -57.127 Base-Backbone interact. energy: -0.442 local terms energy: -86.054571 where: bonds (distance) C4'-P energy: -20.509 bonds (distance) P-C4' energy: -22.648 flat angles C4'-P-C4' energy: -19.158 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -12.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -209.820718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.820718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.820718 (E_RNA) where: Base-Base interactions energy: -131.311 where: short stacking energy: -50.229 Base-Backbone interact. energy: -0.116 local terms energy: -78.393847 where: bonds (distance) C4'-P energy: -12.930 bonds (distance) P-C4' energy: -17.735 flat angles C4'-P-C4' energy: -18.604 flat angles P-C4'-P energy: -17.395 tors. eta vs tors. theta energy: -11.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -407.200817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.200817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.200817 (E_RNA) where: Base-Base interactions energy: -280.185 where: short stacking energy: -118.923 Base-Backbone interact. energy: -0.070 local terms energy: -126.945509 where: bonds (distance) C4'-P energy: -26.561 bonds (distance) P-C4' energy: -24.900 flat angles C4'-P-C4' energy: -27.952 flat angles P-C4'-P energy: -15.808 tors. eta vs tors. theta energy: -31.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -392.011094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.011094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.011094 (E_RNA) where: Base-Base interactions energy: -267.396 where: short stacking energy: -116.112 Base-Backbone interact. energy: -0.625 local terms energy: -123.990745 where: bonds (distance) C4'-P energy: -20.940 bonds (distance) P-C4' energy: -22.798 flat angles C4'-P-C4' energy: -24.950 flat angles P-C4'-P energy: -17.073 tors. eta vs tors. theta energy: -38.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -364.104797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.104797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.104797 (E_RNA) where: Base-Base interactions energy: -237.009 where: short stacking energy: -115.719 Base-Backbone interact. energy: -0.045 local terms energy: -127.050484 where: bonds (distance) C4'-P energy: -25.540 bonds (distance) P-C4' energy: -21.968 flat angles C4'-P-C4' energy: -25.081 flat angles P-C4'-P energy: -17.829 tors. eta vs tors. theta energy: -36.634 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: 4, replica: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -377.868204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.868204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.868204 (E_RNA) where: Base-Base interactions energy: -255.720 where: short stacking energy: -113.051 Base-Backbone interact. energy: -0.267 local terms energy: -121.880666 where: bonds (distance) C4'-P energy: -21.434 bonds (distance) P-C4' energy: -19.819 flat angles C4'-P-C4' energy: -25.638 flat angles P-C4'-P energy: -19.014 tors. eta vs tors. theta energy: -35.975 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: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -355.934240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.934240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.934240 (E_RNA) where: Base-Base interactions energy: -235.905 where: short stacking energy: -105.503 Base-Backbone interact. energy: -0.013 local terms energy: -120.015455 where: bonds (distance) C4'-P energy: -21.234 bonds (distance) P-C4' energy: -26.226 flat angles C4'-P-C4' energy: -23.859 flat angles P-C4'-P energy: -16.919 tors. eta vs tors. theta energy: -31.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -330.749335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.749335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.749335 (E_RNA) where: Base-Base interactions energy: -222.397 where: short stacking energy: -104.875 Base-Backbone interact. energy: -0.375 local terms energy: -107.977404 where: bonds (distance) C4'-P energy: -22.343 bonds (distance) P-C4' energy: -21.199 flat angles C4'-P-C4' energy: -21.787 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -33.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -236.227053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.227053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.227053 (E_RNA) where: Base-Base interactions energy: -136.927 where: short stacking energy: -76.539 Base-Backbone interact. energy: 1.112 local terms energy: -100.412622 where: bonds (distance) C4'-P energy: -19.376 bonds (distance) P-C4' energy: -21.272 flat angles C4'-P-C4' energy: -21.977 flat angles P-C4'-P energy: -19.577 tors. eta vs tors. theta energy: -18.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -241.091840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.091840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.091840 (E_RNA) where: Base-Base interactions energy: -148.403 where: short stacking energy: -71.424 Base-Backbone interact. energy: -0.285 local terms energy: -92.403701 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -23.282 flat angles C4'-P-C4' energy: -21.232 flat angles P-C4'-P energy: -18.104 tors. eta vs tors. theta energy: -14.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -174.971997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.971997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.971997 (E_RNA) where: Base-Base interactions energy: -92.081 where: short stacking energy: -35.183 Base-Backbone interact. energy: -1.623 local terms energy: -81.267998 where: bonds (distance) C4'-P energy: -21.196 bonds (distance) P-C4' energy: -25.377 flat angles C4'-P-C4' energy: -20.537 flat angles P-C4'-P energy: -15.734 tors. eta vs tors. theta energy: 1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -216.933206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.933206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.933206 (E_RNA) where: Base-Base interactions energy: -129.585 where: short stacking energy: -56.891 Base-Backbone interact. energy: -0.857 local terms energy: -86.490607 where: bonds (distance) C4'-P energy: -21.014 bonds (distance) P-C4' energy: -26.614 flat angles C4'-P-C4' energy: -15.254 flat angles P-C4'-P energy: -15.665 tors. eta vs tors. theta energy: -7.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -407.523283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.523283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.523283 (E_RNA) where: Base-Base interactions energy: -280.261 where: short stacking energy: -119.116 Base-Backbone interact. energy: -0.100 local terms energy: -127.162299 where: bonds (distance) C4'-P energy: -20.941 bonds (distance) P-C4' energy: -27.108 flat angles C4'-P-C4' energy: -30.015 flat angles P-C4'-P energy: -17.273 tors. eta vs tors. theta energy: -31.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -403.987621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.987621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.987621 (E_RNA) where: Base-Base interactions energy: -268.765 where: short stacking energy: -123.962 Base-Backbone interact. energy: -1.761 local terms energy: -133.461542 where: bonds (distance) C4'-P energy: -24.212 bonds (distance) P-C4' energy: -18.356 flat angles C4'-P-C4' energy: -28.401 flat angles P-C4'-P energy: -20.042 tors. eta vs tors. theta energy: -42.451 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: 3, replica: 1 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -377.342352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.342352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.342352 (E_RNA) where: Base-Base interactions energy: -258.675 where: short stacking energy: -107.945 Base-Backbone interact. energy: -0.794 local terms energy: -117.873202 where: bonds (distance) C4'-P energy: -22.901 bonds (distance) P-C4' energy: -24.818 flat angles C4'-P-C4' energy: -23.704 flat angles P-C4'-P energy: -18.954 tors. eta vs tors. theta energy: -27.496 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: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -345.459087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.459087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.459087 (E_RNA) where: Base-Base interactions energy: -233.514 where: short stacking energy: -106.641 Base-Backbone interact. energy: -0.179 local terms energy: -111.766450 where: bonds (distance) C4'-P energy: -19.424 bonds (distance) P-C4' energy: -22.661 flat angles C4'-P-C4' energy: -25.727 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -32.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -347.286792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.286792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.286792 (E_RNA) where: Base-Base interactions energy: -230.858 where: short stacking energy: -88.766 Base-Backbone interact. energy: -1.025 local terms energy: -115.404380 where: bonds (distance) C4'-P energy: -21.840 bonds (distance) P-C4' energy: -26.168 flat angles C4'-P-C4' energy: -26.846 flat angles P-C4'-P energy: -14.905 tors. eta vs tors. theta energy: -25.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -325.254534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.254534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.254534 (E_RNA) where: Base-Base interactions energy: -210.301 where: short stacking energy: -99.818 Base-Backbone interact. energy: -0.119 local terms energy: -114.834306 where: bonds (distance) C4'-P energy: -22.238 bonds (distance) P-C4' energy: -26.800 flat angles C4'-P-C4' energy: -24.630 flat angles P-C4'-P energy: -12.333 tors. eta vs tors. theta energy: -28.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -259.057165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.057165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.057165 (E_RNA) where: Base-Base interactions energy: -162.807 where: short stacking energy: -83.437 Base-Backbone interact. energy: -0.755 local terms energy: -95.495994 where: bonds (distance) C4'-P energy: -18.886 bonds (distance) P-C4' energy: -25.440 flat angles C4'-P-C4' energy: -23.008 flat angles P-C4'-P energy: -12.930 tors. eta vs tors. theta energy: -15.232 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: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -214.992618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.992618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.992618 (E_RNA) where: Base-Base interactions energy: -122.484 where: short stacking energy: -66.693 Base-Backbone interact. energy: -0.267 local terms energy: -92.240988 where: bonds (distance) C4'-P energy: -22.091 bonds (distance) P-C4' energy: -24.455 flat angles C4'-P-C4' energy: -20.063 flat angles P-C4'-P energy: -15.150 tors. eta vs tors. theta energy: -10.482 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: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -218.159874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.159874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.159874 (E_RNA) where: Base-Base interactions energy: -145.789 where: short stacking energy: -62.907 Base-Backbone interact. energy: -0.674 local terms energy: -71.696727 where: bonds (distance) C4'-P energy: -17.352 bonds (distance) P-C4' energy: -21.698 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -10.178 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: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -184.319594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.319594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.319594 (E_RNA) where: Base-Base interactions energy: -102.918 where: short stacking energy: -53.597 Base-Backbone interact. energy: -0.099 local terms energy: -81.302503 where: bonds (distance) C4'-P energy: -17.620 bonds (distance) P-C4' energy: -26.364 flat angles C4'-P-C4' energy: -20.142 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -420.818364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.818364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.818364 (E_RNA) where: Base-Base interactions energy: -298.742 where: short stacking energy: -125.493 Base-Backbone interact. energy: -0.057 local terms energy: -122.019987 where: bonds (distance) C4'-P energy: -27.600 bonds (distance) P-C4' energy: -25.620 flat angles C4'-P-C4' energy: -21.230 flat angles P-C4'-P energy: -15.024 tors. eta vs tors. theta energy: -32.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -388.662041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.662041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.662041 (E_RNA) where: Base-Base interactions energy: -270.470 where: short stacking energy: -121.128 Base-Backbone interact. energy: -1.490 local terms energy: -116.701200 where: bonds (distance) C4'-P energy: -16.770 bonds (distance) P-C4' energy: -22.745 flat angles C4'-P-C4' energy: -26.941 flat angles P-C4'-P energy: -18.487 tors. eta vs tors. theta energy: -31.759 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: 305 Temperature: 1.000000 Total energy: -390.784569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.784569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.784569 (E_RNA) where: Base-Base interactions energy: -268.206 where: short stacking energy: -116.694 Base-Backbone interact. energy: -1.986 local terms energy: -120.592084 where: bonds (distance) C4'-P energy: -19.281 bonds (distance) P-C4' energy: -26.000 flat angles C4'-P-C4' energy: -27.639 flat angles P-C4'-P energy: -14.673 tors. eta vs tors. theta energy: -33.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -361.294161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.294161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.294161 (E_RNA) where: Base-Base interactions energy: -237.453 where: short stacking energy: -107.438 Base-Backbone interact. energy: -1.230 local terms energy: -122.611120 where: bonds (distance) C4'-P energy: -23.304 bonds (distance) P-C4' energy: -27.739 flat angles C4'-P-C4' energy: -20.712 flat angles P-C4'-P energy: -18.433 tors. eta vs tors. theta energy: -32.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -342.739053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.739053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.739053 (E_RNA) where: Base-Base interactions energy: -216.582 where: short stacking energy: -102.642 Base-Backbone interact. energy: -0.538 local terms energy: -125.619190 where: bonds (distance) C4'-P energy: -24.347 bonds (distance) P-C4' energy: -22.867 flat angles C4'-P-C4' energy: -24.953 flat angles P-C4'-P energy: -20.303 tors. eta vs tors. theta energy: -33.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -254.292956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.292956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.292956 (E_RNA) where: Base-Base interactions energy: -147.450 where: short stacking energy: -86.068 Base-Backbone interact. energy: 0.492 local terms energy: -107.335409 where: bonds (distance) C4'-P energy: -21.386 bonds (distance) P-C4' energy: -26.468 flat angles C4'-P-C4' energy: -26.212 flat angles P-C4'-P energy: -12.863 tors. eta vs tors. theta energy: -20.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -306.316219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.316219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.316219 (E_RNA) where: Base-Base interactions energy: -207.625 where: short stacking energy: -96.064 Base-Backbone interact. energy: -0.787 local terms energy: -97.904825 where: bonds (distance) C4'-P energy: -18.138 bonds (distance) P-C4' energy: -20.761 flat angles C4'-P-C4' energy: -18.188 flat angles P-C4'-P energy: -12.291 tors. eta vs tors. theta energy: -28.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -184.702881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.702881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.702881 (E_RNA) where: Base-Base interactions energy: -98.769 where: short stacking energy: -56.726 Base-Backbone interact. energy: -0.048 local terms energy: -85.886020 where: bonds (distance) C4'-P energy: -18.452 bonds (distance) P-C4' energy: -23.887 flat angles C4'-P-C4' energy: -25.208 flat angles P-C4'-P energy: -13.624 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -194.153474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.153474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.153474 (E_RNA) where: Base-Base interactions energy: -104.367 where: short stacking energy: -71.535 Base-Backbone interact. energy: -1.445 local terms energy: -88.342196 where: bonds (distance) C4'-P energy: -20.317 bonds (distance) P-C4' energy: -26.869 flat angles C4'-P-C4' energy: -21.763 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -12.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -176.411844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.411844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.411844 (E_RNA) where: Base-Base interactions energy: -101.329 where: short stacking energy: -59.054 Base-Backbone interact. energy: 0.313 local terms energy: -75.396411 where: bonds (distance) C4'-P energy: -15.372 bonds (distance) P-C4' energy: -19.030 flat angles C4'-P-C4' energy: -24.820 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -9.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -415.213040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.213040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.213040 (E_RNA) where: Base-Base interactions energy: -293.783 where: short stacking energy: -121.920 Base-Backbone interact. energy: -0.048 local terms energy: -121.381907 where: bonds (distance) C4'-P energy: -22.806 bonds (distance) P-C4' energy: -24.324 flat angles C4'-P-C4' energy: -20.535 flat angles P-C4'-P energy: -19.412 tors. eta vs tors. theta energy: -34.305 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: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -384.097362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.097362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.097362 (E_RNA) where: Base-Base interactions energy: -265.357 where: short stacking energy: -111.414 Base-Backbone interact. energy: -0.195 local terms energy: -118.545243 where: bonds (distance) C4'-P energy: -22.054 bonds (distance) P-C4' energy: -25.583 flat angles C4'-P-C4' energy: -24.519 flat angles P-C4'-P energy: -14.040 tors. eta vs tors. theta energy: -32.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -386.287714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.287714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.287714 (E_RNA) where: Base-Base interactions energy: -266.828 where: short stacking energy: -117.274 Base-Backbone interact. energy: -0.686 local terms energy: -118.773037 where: bonds (distance) C4'-P energy: -25.325 bonds (distance) P-C4' energy: -22.681 flat angles C4'-P-C4' energy: -24.116 flat angles P-C4'-P energy: -13.760 tors. eta vs tors. theta energy: -32.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -354.648001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.648001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.648001 (E_RNA) where: Base-Base interactions energy: -243.449 where: short stacking energy: -102.904 Base-Backbone interact. energy: -0.741 local terms energy: -110.458367 where: bonds (distance) C4'-P energy: -24.671 bonds (distance) P-C4' energy: -18.858 flat angles C4'-P-C4' energy: -24.291 flat angles P-C4'-P energy: -13.239 tors. eta vs tors. theta energy: -29.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -351.288056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.288056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.288056 (E_RNA) where: Base-Base interactions energy: -235.489 where: short stacking energy: -113.889 Base-Backbone interact. energy: -0.422 local terms energy: -115.377142 where: bonds (distance) C4'-P energy: -22.595 bonds (distance) P-C4' energy: -24.382 flat angles C4'-P-C4' energy: -22.639 flat angles P-C4'-P energy: -14.981 tors. eta vs tors. theta energy: -30.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -253.895692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.895692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.895692 (E_RNA) where: Base-Base interactions energy: -157.149 where: short stacking energy: -85.064 Base-Backbone interact. energy: -0.076 local terms energy: -96.669895 where: bonds (distance) C4'-P energy: -23.209 bonds (distance) P-C4' energy: -19.882 flat angles C4'-P-C4' energy: -19.112 flat angles P-C4'-P energy: -14.875 tors. eta vs tors. theta energy: -19.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -329.313085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.313085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.313085 (E_RNA) where: Base-Base interactions energy: -223.882 where: short stacking energy: -98.378 Base-Backbone interact. energy: -0.120 local terms energy: -105.311477 where: bonds (distance) C4'-P energy: -22.580 bonds (distance) P-C4' energy: -23.636 flat angles C4'-P-C4' energy: -18.632 flat angles P-C4'-P energy: -15.022 tors. eta vs tors. theta energy: -25.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -191.128085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.128085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.128085 (E_RNA) where: Base-Base interactions energy: -111.142 where: short stacking energy: -59.063 Base-Backbone interact. energy: -0.299 local terms energy: -79.687305 where: bonds (distance) C4'-P energy: -19.624 bonds (distance) P-C4' energy: -23.170 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -10.507 tors. eta vs tors. theta energy: -10.624 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: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -184.046602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.046602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.046602 (E_RNA) where: Base-Base interactions energy: -106.152 where: short stacking energy: -65.016 Base-Backbone interact. energy: -0.102 local terms energy: -77.792388 where: bonds (distance) C4'-P energy: -22.221 bonds (distance) P-C4' energy: -15.415 flat angles C4'-P-C4' energy: -20.240 flat angles P-C4'-P energy: -12.641 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -203.241946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.241946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.241946 (E_RNA) where: Base-Base interactions energy: -109.089 where: short stacking energy: -63.584 Base-Backbone interact. energy: 0.341 local terms energy: -94.493746 where: bonds (distance) C4'-P energy: -17.981 bonds (distance) P-C4' energy: -24.958 flat angles C4'-P-C4' energy: -23.217 flat angles P-C4'-P energy: -17.120 tors. eta vs tors. theta energy: -11.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -421.585501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.585501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.585501 (E_RNA) where: Base-Base interactions energy: -294.054 where: short stacking energy: -121.152 Base-Backbone interact. energy: -0.233 local terms energy: -127.297718 where: bonds (distance) C4'-P energy: -23.918 bonds (distance) P-C4' energy: -25.392 flat angles C4'-P-C4' energy: -24.015 flat angles P-C4'-P energy: -19.118 tors. eta vs tors. theta energy: -34.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -391.461510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.461510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.461510 (E_RNA) where: Base-Base interactions energy: -269.538 where: short stacking energy: -118.776 Base-Backbone interact. energy: -0.847 local terms energy: -121.076576 where: bonds (distance) C4'-P energy: -24.757 bonds (distance) P-C4' energy: -19.393 flat angles C4'-P-C4' energy: -25.958 flat angles P-C4'-P energy: -14.174 tors. eta vs tors. theta energy: -36.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -368.384216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.384216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.384216 (E_RNA) where: Base-Base interactions energy: -243.113 where: short stacking energy: -108.576 Base-Backbone interact. energy: -0.773 local terms energy: -124.497936 where: bonds (distance) C4'-P energy: -23.350 bonds (distance) P-C4' energy: -25.359 flat angles C4'-P-C4' energy: -25.377 flat angles P-C4'-P energy: -18.265 tors. eta vs tors. theta energy: -32.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -355.168531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.168531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.168531 (E_RNA) where: Base-Base interactions energy: -232.139 where: short stacking energy: -109.988 Base-Backbone interact. energy: -0.563 local terms energy: -122.466654 where: bonds (distance) C4'-P energy: -20.183 bonds (distance) P-C4' energy: -24.492 flat angles C4'-P-C4' energy: -29.295 flat angles P-C4'-P energy: -16.460 tors. eta vs tors. theta energy: -32.037 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: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -338.587185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.587185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.587185 (E_RNA) where: Base-Base interactions energy: -229.807 where: short stacking energy: -101.695 Base-Backbone interact. energy: -1.780 local terms energy: -107.000494 where: bonds (distance) C4'-P energy: -17.894 bonds (distance) P-C4' energy: -15.989 flat angles C4'-P-C4' energy: -22.736 flat angles P-C4'-P energy: -21.243 tors. eta vs tors. theta energy: -29.138 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: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -313.649775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.649775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.649775 (E_RNA) where: Base-Base interactions energy: -211.508 where: short stacking energy: -78.454 Base-Backbone interact. energy: -1.342 local terms energy: -100.799483 where: bonds (distance) C4'-P energy: -21.503 bonds (distance) P-C4' energy: -26.163 flat angles C4'-P-C4' energy: -18.890 flat angles P-C4'-P energy: -14.275 tors. eta vs tors. theta energy: -19.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -262.473851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.473851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.473851 (E_RNA) where: Base-Base interactions energy: -153.425 where: short stacking energy: -80.431 Base-Backbone interact. energy: -0.524 local terms energy: -108.524389 where: bonds (distance) C4'-P energy: -20.039 bonds (distance) P-C4' energy: -23.535 flat angles C4'-P-C4' energy: -27.840 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -25.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -210.613119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.613119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.613119 (E_RNA) where: Base-Base interactions energy: -125.464 where: short stacking energy: -74.930 Base-Backbone interact. energy: -0.326 local terms energy: -84.822564 where: bonds (distance) C4'-P energy: -17.740 bonds (distance) P-C4' energy: -24.936 flat angles C4'-P-C4' energy: -19.233 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -195.889622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.889622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.889622 (E_RNA) where: Base-Base interactions energy: -112.977 where: short stacking energy: -61.147 Base-Backbone interact. energy: -0.142 local terms energy: -82.770643 where: bonds (distance) C4'-P energy: -22.080 bonds (distance) P-C4' energy: -23.419 flat angles C4'-P-C4' energy: -16.988 flat angles P-C4'-P energy: -2.471 tors. eta vs tors. theta energy: -17.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -218.921927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.921927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.921927 (E_RNA) where: Base-Base interactions energy: -135.123 where: short stacking energy: -67.621 Base-Backbone interact. energy: -0.247 local terms energy: -83.552136 where: bonds (distance) C4'-P energy: -14.802 bonds (distance) P-C4' energy: -22.820 flat angles C4'-P-C4' energy: -20.448 flat angles P-C4'-P energy: -14.735 tors. eta vs tors. theta energy: -10.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -416.486550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.486550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.486550 (E_RNA) where: Base-Base interactions energy: -291.521 where: short stacking energy: -119.239 Base-Backbone interact. energy: 0.020 local terms energy: -124.986021 where: bonds (distance) C4'-P energy: -26.099 bonds (distance) P-C4' energy: -23.063 flat angles C4'-P-C4' energy: -26.156 flat angles P-C4'-P energy: -18.656 tors. eta vs tors. theta energy: -31.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -403.730599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.730599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.730599 (E_RNA) where: Base-Base interactions energy: -294.394 where: short stacking energy: -118.163 Base-Backbone interact. energy: -0.396 local terms energy: -108.940757 where: bonds (distance) C4'-P energy: -19.951 bonds (distance) P-C4' energy: -22.260 flat angles C4'-P-C4' energy: -17.762 flat angles P-C4'-P energy: -14.401 tors. eta vs tors. theta energy: -34.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -358.524494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.524494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.524494 (E_RNA) where: Base-Base interactions energy: -234.382 where: short stacking energy: -115.686 Base-Backbone interact. energy: -1.327 local terms energy: -122.815463 where: bonds (distance) C4'-P energy: -23.949 bonds (distance) P-C4' energy: -22.892 flat angles C4'-P-C4' energy: -27.231 flat angles P-C4'-P energy: -17.555 tors. eta vs tors. theta energy: -31.189 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: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -377.429724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.429724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.429724 (E_RNA) where: Base-Base interactions energy: -263.357 where: short stacking energy: -108.825 Base-Backbone interact. energy: -0.360 local terms energy: -113.713039 where: bonds (distance) C4'-P energy: -17.641 bonds (distance) P-C4' energy: -23.980 flat angles C4'-P-C4' energy: -25.120 flat angles P-C4'-P energy: -18.443 tors. eta vs tors. theta energy: -28.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -337.986868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.986868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.986868 (E_RNA) where: Base-Base interactions energy: -224.070 where: short stacking energy: -101.404 Base-Backbone interact. energy: -0.127 local terms energy: -113.790069 where: bonds (distance) C4'-P energy: -23.076 bonds (distance) P-C4' energy: -23.265 flat angles C4'-P-C4' energy: -26.080 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -30.404 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: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -319.388381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.388381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.388381 (E_RNA) where: Base-Base interactions energy: -209.829 where: short stacking energy: -92.791 Base-Backbone interact. energy: -0.793 local terms energy: -108.765610 where: bonds (distance) C4'-P energy: -22.425 bonds (distance) P-C4' energy: -27.213 flat angles C4'-P-C4' energy: -22.663 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -27.779 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: 308 Temperature: 1.200000 Total energy: -248.202371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.202371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.202371 (E_RNA) where: Base-Base interactions energy: -153.251 where: short stacking energy: -72.612 Base-Backbone interact. energy: -0.888 local terms energy: -94.063467 where: bonds (distance) C4'-P energy: -19.001 bonds (distance) P-C4' energy: -26.019 flat angles C4'-P-C4' energy: -20.430 flat angles P-C4'-P energy: -13.118 tors. eta vs tors. theta energy: -15.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -197.814990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.814990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.814990 (E_RNA) where: Base-Base interactions energy: -109.757 where: short stacking energy: -60.417 Base-Backbone interact. energy: 0.156 local terms energy: -88.213969 where: bonds (distance) C4'-P energy: -25.545 bonds (distance) P-C4' energy: -21.560 flat angles C4'-P-C4' energy: -25.012 flat angles P-C4'-P energy: -6.553 tors. eta vs tors. theta energy: -9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -234.797097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.797097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.797097 (E_RNA) where: Base-Base interactions energy: -146.547 where: short stacking energy: -66.470 Base-Backbone interact. energy: 0.797 local terms energy: -89.047400 where: bonds (distance) C4'-P energy: -21.448 bonds (distance) P-C4' energy: -23.690 flat angles C4'-P-C4' energy: -18.105 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -16.159 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: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -198.839045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.839045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.839045 (E_RNA) where: Base-Base interactions energy: -133.922 where: short stacking energy: -54.206 Base-Backbone interact. energy: 0.714 local terms energy: -65.631837 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -22.766 flat angles C4'-P-C4' energy: -17.343 flat angles P-C4'-P energy: -8.621 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: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -419.470880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.470880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.470880 (E_RNA) where: Base-Base interactions energy: -306.151 where: short stacking energy: -114.256 Base-Backbone interact. energy: -0.422 local terms energy: -112.897734 where: bonds (distance) C4'-P energy: -19.355 bonds (distance) P-C4' energy: -23.632 flat angles C4'-P-C4' energy: -22.591 flat angles P-C4'-P energy: -12.902 tors. eta vs tors. theta energy: -34.417 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -408.058880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.058880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.058880 (E_RNA) where: Base-Base interactions energy: -292.778 where: short stacking energy: -112.374 Base-Backbone interact. energy: -0.171 local terms energy: -115.109685 where: bonds (distance) C4'-P energy: -22.961 bonds (distance) P-C4' energy: -26.670 flat angles C4'-P-C4' energy: -19.559 flat angles P-C4'-P energy: -14.458 tors. eta vs tors. theta energy: -31.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -355.835903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.835903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.835903 (E_RNA) where: Base-Base interactions energy: -230.474 where: short stacking energy: -115.001 Base-Backbone interact. energy: -1.448 local terms energy: -123.913960 where: bonds (distance) C4'-P energy: -20.666 bonds (distance) P-C4' energy: -28.052 flat angles C4'-P-C4' energy: -28.961 flat angles P-C4'-P energy: -13.777 tors. eta vs tors. theta energy: -32.457 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: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -383.602813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.602813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.602813 (E_RNA) where: Base-Base interactions energy: -257.478 where: short stacking energy: -117.427 Base-Backbone interact. energy: -2.135 local terms energy: -123.989955 where: bonds (distance) C4'-P energy: -23.627 bonds (distance) P-C4' energy: -25.414 flat angles C4'-P-C4' energy: -23.936 flat angles P-C4'-P energy: -17.133 tors. eta vs tors. theta energy: -33.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -347.205337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.205337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.205337 (E_RNA) where: Base-Base interactions energy: -243.887 where: short stacking energy: -93.028 Base-Backbone interact. energy: -0.191 local terms energy: -103.127395 where: bonds (distance) C4'-P energy: -19.638 bonds (distance) P-C4' energy: -23.244 flat angles C4'-P-C4' energy: -24.919 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -24.764 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: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -333.459874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.459874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.459874 (E_RNA) where: Base-Base interactions energy: -229.029 where: short stacking energy: -88.079 Base-Backbone interact. energy: -0.603 local terms energy: -103.828726 where: bonds (distance) C4'-P energy: -23.229 bonds (distance) P-C4' energy: -17.996 flat angles C4'-P-C4' energy: -18.682 flat angles P-C4'-P energy: -16.429 tors. eta vs tors. theta energy: -27.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -252.706491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.706491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.706491 (E_RNA) where: Base-Base interactions energy: -158.338 where: short stacking energy: -81.285 Base-Backbone interact. energy: -0.801 local terms energy: -93.567616 where: bonds (distance) C4'-P energy: -20.769 bonds (distance) P-C4' energy: -17.860 flat angles C4'-P-C4' energy: -20.326 flat angles P-C4'-P energy: -13.839 tors. eta vs tors. theta energy: -20.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -240.376584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.376584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.376584 (E_RNA) where: Base-Base interactions energy: -155.185 where: short stacking energy: -79.885 Base-Backbone interact. energy: 2.315 local terms energy: -87.506256 where: bonds (distance) C4'-P energy: -18.477 bonds (distance) P-C4' energy: -18.477 flat angles C4'-P-C4' energy: -21.307 flat angles P-C4'-P energy: -15.646 tors. eta vs tors. theta energy: -13.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -186.069554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.069554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.069554 (E_RNA) where: Base-Base interactions energy: -113.717 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.283 local terms energy: -72.069788 where: bonds (distance) C4'-P energy: -17.628 bonds (distance) P-C4' energy: -16.540 flat angles C4'-P-C4' energy: -20.097 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -217.703461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.703461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.703461 (E_RNA) where: Base-Base interactions energy: -132.546 where: short stacking energy: -60.096 Base-Backbone interact. energy: -0.146 local terms energy: -85.010980 where: bonds (distance) C4'-P energy: -19.445 bonds (distance) P-C4' energy: -26.585 flat angles C4'-P-C4' energy: -22.550 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -10.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -425.600941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.600941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.600941 (E_RNA) where: Base-Base interactions energy: -303.038 where: short stacking energy: -122.267 Base-Backbone interact. energy: -0.651 local terms energy: -121.911200 where: bonds (distance) C4'-P energy: -26.520 bonds (distance) P-C4' energy: -24.393 flat angles C4'-P-C4' energy: -26.514 flat angles P-C4'-P energy: -14.603 tors. eta vs tors. theta energy: -29.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -399.989143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.989143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.989143 (E_RNA) where: Base-Base interactions energy: -273.548 where: short stacking energy: -124.203 Base-Backbone interact. energy: 0.734 local terms energy: -127.174843 where: bonds (distance) C4'-P energy: -22.761 bonds (distance) P-C4' energy: -24.698 flat angles C4'-P-C4' energy: -25.920 flat angles P-C4'-P energy: -20.542 tors. eta vs tors. theta energy: -33.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -378.913521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.913521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.913521 (E_RNA) where: Base-Base interactions energy: -254.030 where: short stacking energy: -112.351 Base-Backbone interact. energy: -0.008 local terms energy: -124.875766 where: bonds (distance) C4'-P energy: -21.995 bonds (distance) P-C4' energy: -24.569 flat angles C4'-P-C4' energy: -24.192 flat angles P-C4'-P energy: -16.559 tors. eta vs tors. theta energy: -37.560 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: 310 Temperature: 1.050000 Total energy: -339.865484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.865484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.865484 (E_RNA) where: Base-Base interactions energy: -229.075 where: short stacking energy: -104.206 Base-Backbone interact. energy: -0.562 local terms energy: -110.228062 where: bonds (distance) C4'-P energy: -19.246 bonds (distance) P-C4' energy: -19.777 flat angles C4'-P-C4' energy: -22.982 flat angles P-C4'-P energy: -15.412 tors. eta vs tors. theta energy: -32.811 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: 310 Temperature: 1.100000 Total energy: -341.888812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.888812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.888812 (E_RNA) where: Base-Base interactions energy: -229.793 where: short stacking energy: -99.030 Base-Backbone interact. energy: 0.060 local terms energy: -112.156510 where: bonds (distance) C4'-P energy: -22.589 bonds (distance) P-C4' energy: -17.237 flat angles C4'-P-C4' energy: -28.009 flat angles P-C4'-P energy: -15.822 tors. eta vs tors. theta energy: -28.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -355.516276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.516276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.516276 (E_RNA) where: Base-Base interactions energy: -246.051 where: short stacking energy: -105.171 Base-Backbone interact. energy: -1.380 local terms energy: -108.084900 where: bonds (distance) C4'-P energy: -23.061 bonds (distance) P-C4' energy: -22.185 flat angles C4'-P-C4' energy: -20.294 flat angles P-C4'-P energy: -14.315 tors. eta vs tors. theta energy: -28.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -229.096951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.096951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.096951 (E_RNA) where: Base-Base interactions energy: -136.588 where: short stacking energy: -69.946 Base-Backbone interact. energy: -0.027 local terms energy: -92.482039 where: bonds (distance) C4'-P energy: -21.412 bonds (distance) P-C4' energy: -24.258 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -18.986 tors. eta vs tors. theta energy: -12.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -217.216194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.216194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.216194 (E_RNA) where: Base-Base interactions energy: -130.577 where: short stacking energy: -55.120 Base-Backbone interact. energy: -1.751 local terms energy: -84.888040 where: bonds (distance) C4'-P energy: -24.707 bonds (distance) P-C4' energy: -23.954 flat angles C4'-P-C4' energy: -21.696 flat angles P-C4'-P energy: -9.990 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: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -188.471994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.471994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.471994 (E_RNA) where: Base-Base interactions energy: -113.272 where: short stacking energy: -48.587 Base-Backbone interact. energy: -0.274 local terms energy: -74.925979 where: bonds (distance) C4'-P energy: -20.919 bonds (distance) P-C4' energy: -21.518 flat angles C4'-P-C4' energy: -23.786 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -0.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -173.146076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.146076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.146076 (E_RNA) where: Base-Base interactions energy: -90.432 where: short stacking energy: -51.533 Base-Backbone interact. energy: -0.641 local terms energy: -82.073121 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -27.108 flat angles C4'-P-C4' energy: -25.525 flat angles P-C4'-P energy: -16.172 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -418.594408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.594408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.594408 (E_RNA) where: Base-Base interactions energy: -295.013 where: short stacking energy: -116.731 Base-Backbone interact. energy: -0.108 local terms energy: -123.474034 where: bonds (distance) C4'-P energy: -24.310 bonds (distance) P-C4' energy: -25.098 flat angles C4'-P-C4' energy: -25.024 flat angles P-C4'-P energy: -14.322 tors. eta vs tors. theta energy: -34.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -397.066450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.066450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.066450 (E_RNA) where: Base-Base interactions energy: -281.418 where: short stacking energy: -114.045 Base-Backbone interact. energy: -0.785 local terms energy: -114.863966 where: bonds (distance) C4'-P energy: -22.237 bonds (distance) P-C4' energy: -24.146 flat angles C4'-P-C4' energy: -23.718 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -36.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -391.534101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.534101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.534101 (E_RNA) where: Base-Base interactions energy: -275.826 where: short stacking energy: -116.211 Base-Backbone interact. energy: -1.375 local terms energy: -114.332697 where: bonds (distance) C4'-P energy: -20.565 bonds (distance) P-C4' energy: -18.202 flat angles C4'-P-C4' energy: -30.104 flat angles P-C4'-P energy: -12.697 tors. eta vs tors. theta energy: -32.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -346.528799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.528799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.528799 (E_RNA) where: Base-Base interactions energy: -228.795 where: short stacking energy: -102.348 Base-Backbone interact. energy: -0.499 local terms energy: -117.234541 where: bonds (distance) C4'-P energy: -22.766 bonds (distance) P-C4' energy: -22.270 flat angles C4'-P-C4' energy: -22.593 flat angles P-C4'-P energy: -19.218 tors. eta vs tors. theta energy: -30.387 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: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -339.416121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.416121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.416121 (E_RNA) where: Base-Base interactions energy: -237.444 where: short stacking energy: -103.598 Base-Backbone interact. energy: -0.500 local terms energy: -101.472580 where: bonds (distance) C4'-P energy: -23.324 bonds (distance) P-C4' energy: -19.420 flat angles C4'-P-C4' energy: -17.482 flat angles P-C4'-P energy: -16.166 tors. eta vs tors. theta energy: -25.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -351.956837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.956837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.956837 (E_RNA) where: Base-Base interactions energy: -240.449 where: short stacking energy: -102.475 Base-Backbone interact. energy: -0.784 local terms energy: -110.723722 where: bonds (distance) C4'-P energy: -16.189 bonds (distance) P-C4' energy: -19.794 flat angles C4'-P-C4' energy: -26.725 flat angles P-C4'-P energy: -18.885 tors. eta vs tors. theta energy: -29.131 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: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -249.310377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.310377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.310377 (E_RNA) where: Base-Base interactions energy: -156.333 where: short stacking energy: -74.286 Base-Backbone interact. energy: -1.238 local terms energy: -91.739340 where: bonds (distance) C4'-P energy: -25.520 bonds (distance) P-C4' energy: -20.221 flat angles C4'-P-C4' energy: -16.157 flat angles P-C4'-P energy: -8.641 tors. eta vs tors. theta energy: -21.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -225.259053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.259053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.259053 (E_RNA) where: Base-Base interactions energy: -143.471 where: short stacking energy: -62.190 Base-Backbone interact. energy: 1.296 local terms energy: -83.083543 where: bonds (distance) C4'-P energy: -20.272 bonds (distance) P-C4' energy: -27.172 flat angles C4'-P-C4' energy: -17.189 flat angles P-C4'-P energy: -15.910 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: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -185.200303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.200303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.200303 (E_RNA) where: Base-Base interactions energy: -107.493 where: short stacking energy: -44.434 Base-Backbone interact. energy: -1.664 local terms energy: -76.043689 where: bonds (distance) C4'-P energy: -18.112 bonds (distance) P-C4' energy: -24.687 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -14.737 tors. eta vs tors. theta energy: -4.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -146.459174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.459174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.459174 (E_RNA) where: Base-Base interactions energy: -68.536 where: short stacking energy: -33.759 Base-Backbone interact. energy: 0.508 local terms energy: -78.431306 where: bonds (distance) C4'-P energy: -23.387 bonds (distance) P-C4' energy: -24.465 flat angles C4'-P-C4' energy: -19.055 flat angles P-C4'-P energy: -11.628 tors. eta vs tors. theta energy: 0.103 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: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -408.721129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.721129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.721129 (E_RNA) where: Base-Base interactions energy: -279.173 where: short stacking energy: -121.655 Base-Backbone interact. energy: -0.024 local terms energy: -129.523678 where: bonds (distance) C4'-P energy: -22.215 bonds (distance) P-C4' energy: -28.226 flat angles C4'-P-C4' energy: -26.915 flat angles P-C4'-P energy: -18.529 tors. eta vs tors. theta energy: -33.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -398.474548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.474548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.474548 (E_RNA) where: Base-Base interactions energy: -276.926 where: short stacking energy: -112.819 Base-Backbone interact. energy: 1.164 local terms energy: -122.712729 where: bonds (distance) C4'-P energy: -18.712 bonds (distance) P-C4' energy: -26.297 flat angles C4'-P-C4' energy: -25.665 flat angles P-C4'-P energy: -16.854 tors. eta vs tors. theta energy: -35.185 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: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -388.919545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.919545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.919545 (E_RNA) where: Base-Base interactions energy: -274.821 where: short stacking energy: -113.877 Base-Backbone interact. energy: -0.213 local terms energy: -113.885532 where: bonds (distance) C4'-P energy: -23.648 bonds (distance) P-C4' energy: -17.620 flat angles C4'-P-C4' energy: -27.015 flat angles P-C4'-P energy: -15.618 tors. eta vs tors. theta energy: -29.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -358.614746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.614746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.614746 (E_RNA) where: Base-Base interactions energy: -242.436 where: short stacking energy: -104.484 Base-Backbone interact. energy: -0.046 local terms energy: -116.132623 where: bonds (distance) C4'-P energy: -22.241 bonds (distance) P-C4' energy: -20.370 flat angles C4'-P-C4' energy: -19.804 flat angles P-C4'-P energy: -21.250 tors. eta vs tors. theta energy: -32.468 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: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -354.595933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.595933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.595933 (E_RNA) where: Base-Base interactions energy: -235.398 where: short stacking energy: -95.680 Base-Backbone interact. energy: -1.141 local terms energy: -118.057138 where: bonds (distance) C4'-P energy: -19.590 bonds (distance) P-C4' energy: -25.681 flat angles C4'-P-C4' energy: -20.931 flat angles P-C4'-P energy: -17.881 tors. eta vs tors. theta energy: -33.975 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: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -331.684495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.684495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.684495 (E_RNA) where: Base-Base interactions energy: -225.106 where: short stacking energy: -96.738 Base-Backbone interact. energy: -0.765 local terms energy: -105.813288 where: bonds (distance) C4'-P energy: -24.190 bonds (distance) P-C4' energy: -20.573 flat angles C4'-P-C4' energy: -19.746 flat angles P-C4'-P energy: -16.655 tors. eta vs tors. theta energy: -24.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -239.807211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.807211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.807211 (E_RNA) where: Base-Base interactions energy: -154.060 where: short stacking energy: -70.554 Base-Backbone interact. energy: -0.957 local terms energy: -84.789979 where: bonds (distance) C4'-P energy: -21.446 bonds (distance) P-C4' energy: -20.805 flat angles C4'-P-C4' energy: -23.042 flat angles P-C4'-P energy: -13.308 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: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -244.412545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.412545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.412545 (E_RNA) where: Base-Base interactions energy: -154.006 where: short stacking energy: -73.213 Base-Backbone interact. energy: -0.947 local terms energy: -89.459850 where: bonds (distance) C4'-P energy: -17.476 bonds (distance) P-C4' energy: -19.978 flat angles C4'-P-C4' energy: -19.261 flat angles P-C4'-P energy: -14.923 tors. eta vs tors. theta energy: -17.820 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: 9, replica: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -200.623087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.623087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.623087 (E_RNA) where: Base-Base interactions energy: -121.547 where: short stacking energy: -61.874 Base-Backbone interact. energy: -0.498 local terms energy: -78.578359 where: bonds (distance) C4'-P energy: -20.859 bonds (distance) P-C4' energy: -20.799 flat angles C4'-P-C4' energy: -21.825 flat angles P-C4'-P energy: -11.846 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -135.855290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.855290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.855290 (E_RNA) where: Base-Base interactions energy: -59.561 where: short stacking energy: -43.910 Base-Backbone interact. energy: 0.155 local terms energy: -76.449264 where: bonds (distance) C4'-P energy: -21.277 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -23.150 flat angles P-C4'-P energy: -15.635 tors. eta vs tors. theta energy: 0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -410.274886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.274886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.274886 (E_RNA) where: Base-Base interactions energy: -288.510 where: short stacking energy: -123.124 Base-Backbone interact. energy: -0.028 local terms energy: -121.736588 where: bonds (distance) C4'-P energy: -22.365 bonds (distance) P-C4' energy: -25.258 flat angles C4'-P-C4' energy: -22.840 flat angles P-C4'-P energy: -14.656 tors. eta vs tors. theta energy: -36.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -393.001320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.001320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.001320 (E_RNA) where: Base-Base interactions energy: -271.671 where: short stacking energy: -122.295 Base-Backbone interact. energy: -0.486 local terms energy: -120.844772 where: bonds (distance) C4'-P energy: -21.304 bonds (distance) P-C4' energy: -25.895 flat angles C4'-P-C4' energy: -24.428 flat angles P-C4'-P energy: -19.040 tors. eta vs tors. theta energy: -30.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -386.966358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.966358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.966358 (E_RNA) where: Base-Base interactions energy: -273.130 where: short stacking energy: -109.458 Base-Backbone interact. energy: -1.189 local terms energy: -112.647322 where: bonds (distance) C4'-P energy: -24.318 bonds (distance) P-C4' energy: -17.639 flat angles C4'-P-C4' energy: -26.609 flat angles P-C4'-P energy: -16.240 tors. eta vs tors. theta energy: -27.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -382.294869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.294869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.294869 (E_RNA) where: Base-Base interactions energy: -260.588 where: short stacking energy: -113.895 Base-Backbone interact. energy: -2.004 local terms energy: -119.703273 where: bonds (distance) C4'-P energy: -21.904 bonds (distance) P-C4' energy: -20.455 flat angles C4'-P-C4' energy: -29.917 flat angles P-C4'-P energy: -18.943 tors. eta vs tors. theta energy: -28.484 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: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -355.294244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.294244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.294244 (E_RNA) where: Base-Base interactions energy: -241.084 where: short stacking energy: -117.203 Base-Backbone interact. energy: -0.102 local terms energy: -114.108564 where: bonds (distance) C4'-P energy: -22.042 bonds (distance) P-C4' energy: -17.425 flat angles C4'-P-C4' energy: -24.082 flat angles P-C4'-P energy: -15.509 tors. eta vs tors. theta energy: -35.050 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: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -336.245040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.245040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.245040 (E_RNA) where: Base-Base interactions energy: -232.883 where: short stacking energy: -100.490 Base-Backbone interact. energy: 1.602 local terms energy: -104.963301 where: bonds (distance) C4'-P energy: -20.472 bonds (distance) P-C4' energy: -19.856 flat angles C4'-P-C4' energy: -20.567 flat angles P-C4'-P energy: -17.298 tors. eta vs tors. theta energy: -26.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -234.601184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.601184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.601184 (E_RNA) where: Base-Base interactions energy: -142.903 where: short stacking energy: -68.313 Base-Backbone interact. energy: -0.472 local terms energy: -91.226130 where: bonds (distance) C4'-P energy: -20.661 bonds (distance) P-C4' energy: -21.613 flat angles C4'-P-C4' energy: -25.162 flat angles P-C4'-P energy: -12.142 tors. eta vs tors. theta energy: -11.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -250.897642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.897642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.897642 (E_RNA) where: Base-Base interactions energy: -160.452 where: short stacking energy: -73.230 Base-Backbone interact. energy: 0.022 local terms energy: -90.467666 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -21.298 flat angles C4'-P-C4' energy: -23.912 flat angles P-C4'-P energy: -16.777 tors. eta vs tors. theta energy: -13.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -186.619349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.619349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.619349 (E_RNA) where: Base-Base interactions energy: -101.241 where: short stacking energy: -44.562 Base-Backbone interact. energy: -0.606 local terms energy: -84.771594 where: bonds (distance) C4'-P energy: -16.694 bonds (distance) P-C4' energy: -23.082 flat angles C4'-P-C4' energy: -26.134 flat angles P-C4'-P energy: -14.032 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -137.942681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.942681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.942681 (E_RNA) where: Base-Base interactions energy: -67.867 where: short stacking energy: -40.424 Base-Backbone interact. energy: 1.870 local terms energy: -71.945889 where: bonds (distance) C4'-P energy: -22.252 bonds (distance) P-C4' energy: -22.750 flat angles C4'-P-C4' energy: -18.809 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -385.310217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.310217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.310217 (E_RNA) where: Base-Base interactions energy: -258.875 where: short stacking energy: -115.993 Base-Backbone interact. energy: -3.323 local terms energy: -123.112126 where: bonds (distance) C4'-P energy: -20.509 bonds (distance) P-C4' energy: -26.507 flat angles C4'-P-C4' energy: -24.000 flat angles P-C4'-P energy: -19.532 tors. eta vs tors. theta energy: -32.563 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: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -399.947924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.947924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.947924 (E_RNA) where: Base-Base interactions energy: -265.110 where: short stacking energy: -120.156 Base-Backbone interact. energy: -0.894 local terms energy: -133.943746 where: bonds (distance) C4'-P energy: -24.530 bonds (distance) P-C4' energy: -23.901 flat angles C4'-P-C4' energy: -25.987 flat angles P-C4'-P energy: -23.591 tors. eta vs tors. theta energy: -35.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -395.065123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.065123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.065123 (E_RNA) where: Base-Base interactions energy: -278.952 where: short stacking energy: -109.060 Base-Backbone interact. energy: -0.098 local terms energy: -116.015726 where: bonds (distance) C4'-P energy: -24.370 bonds (distance) P-C4' energy: -22.981 flat angles C4'-P-C4' energy: -24.767 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -35.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -370.822990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.822990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.822990 (E_RNA) where: Base-Base interactions energy: -249.976 where: short stacking energy: -111.969 Base-Backbone interact. energy: -0.212 local terms energy: -120.635304 where: bonds (distance) C4'-P energy: -21.963 bonds (distance) P-C4' energy: -25.348 flat angles C4'-P-C4' energy: -25.501 flat angles P-C4'-P energy: -15.664 tors. eta vs tors. theta energy: -32.160 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: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -343.166977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.166977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.166977 (E_RNA) where: Base-Base interactions energy: -225.001 where: short stacking energy: -98.052 Base-Backbone interact. energy: -1.363 local terms energy: -116.803290 where: bonds (distance) C4'-P energy: -19.286 bonds (distance) P-C4' energy: -26.223 flat angles C4'-P-C4' energy: -22.579 flat angles P-C4'-P energy: -16.864 tors. eta vs tors. theta energy: -31.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -340.263244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.263244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.263244 (E_RNA) where: Base-Base interactions energy: -220.828 where: short stacking energy: -100.610 Base-Backbone interact. energy: -0.230 local terms energy: -119.205377 where: bonds (distance) C4'-P energy: -25.495 bonds (distance) P-C4' energy: -19.269 flat angles C4'-P-C4' energy: -22.773 flat angles P-C4'-P energy: -20.816 tors. eta vs tors. theta energy: -30.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -250.203681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.203681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.203681 (E_RNA) where: Base-Base interactions energy: -168.684 where: short stacking energy: -70.926 Base-Backbone interact. energy: -0.249 local terms energy: -81.270473 where: bonds (distance) C4'-P energy: -20.617 bonds (distance) P-C4' energy: -23.835 flat angles C4'-P-C4' energy: -20.269 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -10.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -202.829662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.829662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.829662 (E_RNA) where: Base-Base interactions energy: -115.905 where: short stacking energy: -67.750 Base-Backbone interact. energy: -0.148 local terms energy: -86.776423 where: bonds (distance) C4'-P energy: -25.479 bonds (distance) P-C4' energy: -22.149 flat angles C4'-P-C4' energy: -19.302 flat angles P-C4'-P energy: -11.832 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -180.357872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.357872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.357872 (E_RNA) where: Base-Base interactions energy: -100.624 where: short stacking energy: -43.533 Base-Backbone interact. energy: 0.652 local terms energy: -80.385862 where: bonds (distance) C4'-P energy: -21.068 bonds (distance) P-C4' energy: -23.649 flat angles C4'-P-C4' energy: -18.174 flat angles P-C4'-P energy: -11.105 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: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -129.433188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.433188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.433188 (E_RNA) where: Base-Base interactions energy: -46.736 where: short stacking energy: -32.076 Base-Backbone interact. energy: -0.964 local terms energy: -81.733281 where: bonds (distance) C4'-P energy: -19.094 bonds (distance) P-C4' energy: -23.576 flat angles C4'-P-C4' energy: -22.521 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -406.839222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.839222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.839222 (E_RNA) where: Base-Base interactions energy: -287.293 where: short stacking energy: -120.726 Base-Backbone interact. energy: -0.019 local terms energy: -119.527464 where: bonds (distance) C4'-P energy: -18.920 bonds (distance) P-C4' energy: -21.353 flat angles C4'-P-C4' energy: -27.534 flat angles P-C4'-P energy: -14.540 tors. eta vs tors. theta energy: -37.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -392.652766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.652766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.652766 (E_RNA) where: Base-Base interactions energy: -270.670 where: short stacking energy: -116.691 Base-Backbone interact. energy: -0.004 local terms energy: -121.978851 where: bonds (distance) C4'-P energy: -26.166 bonds (distance) P-C4' energy: -24.676 flat angles C4'-P-C4' energy: -21.770 flat angles P-C4'-P energy: -12.241 tors. eta vs tors. theta energy: -37.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -386.195171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.195171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.195171 (E_RNA) where: Base-Base interactions energy: -269.691 where: short stacking energy: -99.541 Base-Backbone interact. energy: -1.581 local terms energy: -114.924143 where: bonds (distance) C4'-P energy: -17.901 bonds (distance) P-C4' energy: -20.572 flat angles C4'-P-C4' energy: -27.212 flat angles P-C4'-P energy: -16.799 tors. eta vs tors. theta energy: -32.440 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: 315 Temperature: 1.050000 Total energy: -364.161397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.161397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.161397 (E_RNA) where: Base-Base interactions energy: -252.132 where: short stacking energy: -107.553 Base-Backbone interact. energy: -0.178 local terms energy: -111.851062 where: bonds (distance) C4'-P energy: -17.986 bonds (distance) P-C4' energy: -23.359 flat angles C4'-P-C4' energy: -19.222 flat angles P-C4'-P energy: -17.806 tors. eta vs tors. theta energy: -33.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -356.369023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.369023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.369023 (E_RNA) where: Base-Base interactions energy: -239.912 where: short stacking energy: -97.647 Base-Backbone interact. energy: -0.278 local terms energy: -116.179470 where: bonds (distance) C4'-P energy: -25.900 bonds (distance) P-C4' energy: -22.101 flat angles C4'-P-C4' energy: -27.007 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -28.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -336.072219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.072219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.072219 (E_RNA) where: Base-Base interactions energy: -222.594 where: short stacking energy: -106.760 Base-Backbone interact. energy: -0.432 local terms energy: -113.046848 where: bonds (distance) C4'-P energy: -21.067 bonds (distance) P-C4' energy: -20.791 flat angles C4'-P-C4' energy: -24.429 flat angles P-C4'-P energy: -17.127 tors. eta vs tors. theta energy: -29.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -240.320752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.320752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.320752 (E_RNA) where: Base-Base interactions energy: -154.111 where: short stacking energy: -66.499 Base-Backbone interact. energy: -0.575 local terms energy: -85.634693 where: bonds (distance) C4'-P energy: -19.902 bonds (distance) P-C4' energy: -23.292 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -14.914 tors. eta vs tors. theta energy: -14.534 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: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -224.311781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.311781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.311781 (E_RNA) where: Base-Base interactions energy: -137.902 where: short stacking energy: -67.232 Base-Backbone interact. energy: -0.822 local terms energy: -85.587773 where: bonds (distance) C4'-P energy: -19.405 bonds (distance) P-C4' energy: -21.966 flat angles C4'-P-C4' energy: -16.943 flat angles P-C4'-P energy: -16.183 tors. eta vs tors. theta energy: -11.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -187.013334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.013334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.013334 (E_RNA) where: Base-Base interactions energy: -124.790 where: short stacking energy: -66.970 Base-Backbone interact. energy: -0.090 local terms energy: -62.133302 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -15.922 flat angles C4'-P-C4' energy: -17.382 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -10.959 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: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -117.365182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.365182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.365182 (E_RNA) where: Base-Base interactions energy: -48.740 where: short stacking energy: -36.609 Base-Backbone interact. energy: -1.177 local terms energy: -67.447444 where: bonds (distance) C4'-P energy: -20.912 bonds (distance) P-C4' energy: -20.093 flat angles C4'-P-C4' energy: -20.925 flat angles P-C4'-P energy: -6.659 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: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -417.721483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.721483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.721483 (E_RNA) where: Base-Base interactions energy: -288.169 where: short stacking energy: -122.905 Base-Backbone interact. energy: -0.021 local terms energy: -129.531548 where: bonds (distance) C4'-P energy: -25.410 bonds (distance) P-C4' energy: -23.047 flat angles C4'-P-C4' energy: -25.808 flat angles P-C4'-P energy: -19.172 tors. eta vs tors. theta energy: -36.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -393.422730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.422730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.422730 (E_RNA) where: Base-Base interactions energy: -267.200 where: short stacking energy: -114.243 Base-Backbone interact. energy: -0.062 local terms energy: -126.161051 where: bonds (distance) C4'-P energy: -22.857 bonds (distance) P-C4' energy: -24.034 flat angles C4'-P-C4' energy: -25.588 flat angles P-C4'-P energy: -17.757 tors. eta vs tors. theta energy: -35.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -389.064899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.064899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.064899 (E_RNA) where: Base-Base interactions energy: -270.856 where: short stacking energy: -110.878 Base-Backbone interact. energy: -0.766 local terms energy: -117.442821 where: bonds (distance) C4'-P energy: -24.201 bonds (distance) P-C4' energy: -25.229 flat angles C4'-P-C4' energy: -26.215 flat angles P-C4'-P energy: -12.775 tors. eta vs tors. theta energy: -29.022 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: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -367.463543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.463543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.463543 (E_RNA) where: Base-Base interactions energy: -249.234 where: short stacking energy: -111.042 Base-Backbone interact. energy: -0.103 local terms energy: -118.126661 where: bonds (distance) C4'-P energy: -23.340 bonds (distance) P-C4' energy: -23.697 flat angles C4'-P-C4' energy: -21.179 flat angles P-C4'-P energy: -16.522 tors. eta vs tors. theta energy: -33.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -349.055505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.055505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.055505 (E_RNA) where: Base-Base interactions energy: -226.826 where: short stacking energy: -107.898 Base-Backbone interact. energy: -0.263 local terms energy: -121.966849 where: bonds (distance) C4'-P energy: -19.286 bonds (distance) P-C4' energy: -23.579 flat angles C4'-P-C4' energy: -26.996 flat angles P-C4'-P energy: -19.825 tors. eta vs tors. theta energy: -32.281 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: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -332.308125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.308125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.308125 (E_RNA) where: Base-Base interactions energy: -220.442 where: short stacking energy: -99.720 Base-Backbone interact. energy: -0.162 local terms energy: -111.704847 where: bonds (distance) C4'-P energy: -21.190 bonds (distance) P-C4' energy: -24.512 flat angles C4'-P-C4' energy: -26.405 flat angles P-C4'-P energy: -19.282 tors. eta vs tors. theta energy: -20.316 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: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -238.911278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.911278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.911278 (E_RNA) where: Base-Base interactions energy: -150.545 where: short stacking energy: -70.613 Base-Backbone interact. energy: 0.723 local terms energy: -89.089180 where: bonds (distance) C4'-P energy: -17.667 bonds (distance) P-C4' energy: -21.316 flat angles C4'-P-C4' energy: -26.778 flat angles P-C4'-P energy: -11.944 tors. eta vs tors. theta energy: -11.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -210.092907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.092907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.092907 (E_RNA) where: Base-Base interactions energy: -127.634 where: short stacking energy: -69.271 Base-Backbone interact. energy: -0.913 local terms energy: -81.545804 where: bonds (distance) C4'-P energy: -19.926 bonds (distance) P-C4' energy: -23.629 flat angles C4'-P-C4' energy: -15.512 flat angles P-C4'-P energy: -12.240 tors. eta vs tors. theta energy: -10.239 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: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -202.821819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.821819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.821819 (E_RNA) where: Base-Base interactions energy: -125.056 where: short stacking energy: -46.275 Base-Backbone interact. energy: 0.166 local terms energy: -77.932554 where: bonds (distance) C4'-P energy: -23.793 bonds (distance) P-C4' energy: -21.311 flat angles C4'-P-C4' energy: -17.071 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -6.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -116.273486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.273486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.273486 (E_RNA) where: Base-Base interactions energy: -46.725 where: short stacking energy: -36.672 Base-Backbone interact. energy: 0.289 local terms energy: -69.837144 where: bonds (distance) C4'-P energy: -18.001 bonds (distance) P-C4' energy: -21.721 flat angles C4'-P-C4' energy: -19.232 flat angles P-C4'-P energy: -15.335 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: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -404.429462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.429462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.429462 (E_RNA) where: Base-Base interactions energy: -277.226 where: short stacking energy: -117.892 Base-Backbone interact. energy: -0.329 local terms energy: -126.874344 where: bonds (distance) C4'-P energy: -23.653 bonds (distance) P-C4' energy: -22.383 flat angles C4'-P-C4' energy: -26.389 flat angles P-C4'-P energy: -19.604 tors. eta vs tors. theta energy: -34.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -391.422131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.422131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.422131 (E_RNA) where: Base-Base interactions energy: -268.048 where: short stacking energy: -114.418 Base-Backbone interact. energy: -0.496 local terms energy: -122.878030 where: bonds (distance) C4'-P energy: -21.125 bonds (distance) P-C4' energy: -28.014 flat angles C4'-P-C4' energy: -24.618 flat angles P-C4'-P energy: -15.756 tors. eta vs tors. theta energy: -33.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -395.131385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.131385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.131385 (E_RNA) where: Base-Base interactions energy: -273.646 where: short stacking energy: -108.865 Base-Backbone interact. energy: -0.150 local terms energy: -121.335056 where: bonds (distance) C4'-P energy: -24.981 bonds (distance) P-C4' energy: -19.238 flat angles C4'-P-C4' energy: -27.286 flat angles P-C4'-P energy: -20.179 tors. eta vs tors. theta energy: -29.652 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: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -360.508058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.508058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.508058 (E_RNA) where: Base-Base interactions energy: -257.338 where: short stacking energy: -112.312 Base-Backbone interact. energy: -0.484 local terms energy: -102.686769 where: bonds (distance) C4'-P energy: -22.729 bonds (distance) P-C4' energy: -18.390 flat angles C4'-P-C4' energy: -20.499 flat angles P-C4'-P energy: -12.059 tors. eta vs tors. theta energy: -29.010 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: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -331.307822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.307822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.307822 (E_RNA) where: Base-Base interactions energy: -215.292 where: short stacking energy: -105.756 Base-Backbone interact. energy: -0.333 local terms energy: -115.682303 where: bonds (distance) C4'-P energy: -20.274 bonds (distance) P-C4' energy: -20.331 flat angles C4'-P-C4' energy: -25.885 flat angles P-C4'-P energy: -18.778 tors. eta vs tors. theta energy: -30.414 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: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -321.315089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.315089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.315089 (E_RNA) where: Base-Base interactions energy: -218.871 where: short stacking energy: -79.604 Base-Backbone interact. energy: -0.505 local terms energy: -101.939341 where: bonds (distance) C4'-P energy: -20.808 bonds (distance) P-C4' energy: -25.478 flat angles C4'-P-C4' energy: -25.804 flat angles P-C4'-P energy: -7.096 tors. eta vs tors. theta energy: -22.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -240.791657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.791657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.791657 (E_RNA) where: Base-Base interactions energy: -150.476 where: short stacking energy: -72.090 Base-Backbone interact. energy: 0.636 local terms energy: -90.951213 where: bonds (distance) C4'-P energy: -22.281 bonds (distance) P-C4' energy: -26.437 flat angles C4'-P-C4' energy: -18.975 flat angles P-C4'-P energy: -12.861 tors. eta vs tors. theta energy: -10.397 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: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -193.403511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.403511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.403511 (E_RNA) where: Base-Base interactions energy: -113.578 where: short stacking energy: -70.461 Base-Backbone interact. energy: -0.406 local terms energy: -79.419369 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -20.233 flat angles C4'-P-C4' energy: -20.203 flat angles P-C4'-P energy: -12.408 tors. eta vs tors. theta energy: -13.890 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: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -220.105183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.105183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.105183 (E_RNA) where: Base-Base interactions energy: -144.591 where: short stacking energy: -78.607 Base-Backbone interact. energy: -0.472 local terms energy: -75.042506 where: bonds (distance) C4'-P energy: -16.673 bonds (distance) P-C4' energy: -18.448 flat angles C4'-P-C4' energy: -18.818 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -10.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -119.166639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.166639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.166639 (E_RNA) where: Base-Base interactions energy: -44.533 where: short stacking energy: -36.294 Base-Backbone interact. energy: -0.303 local terms energy: -74.330519 where: bonds (distance) C4'-P energy: -16.398 bonds (distance) P-C4' energy: -17.747 flat angles C4'-P-C4' energy: -24.560 flat angles P-C4'-P energy: -12.892 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -412.772032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.772032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.772032 (E_RNA) where: Base-Base interactions energy: -288.222 where: short stacking energy: -128.371 Base-Backbone interact. energy: -0.031 local terms energy: -124.519484 where: bonds (distance) C4'-P energy: -23.519 bonds (distance) P-C4' energy: -20.081 flat angles C4'-P-C4' energy: -25.794 flat angles P-C4'-P energy: -16.682 tors. eta vs tors. theta energy: -38.443 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: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -395.159580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.159580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.159580 (E_RNA) where: Base-Base interactions energy: -274.093 where: short stacking energy: -112.531 Base-Backbone interact. energy: -0.326 local terms energy: -120.740851 where: bonds (distance) C4'-P energy: -17.452 bonds (distance) P-C4' energy: -25.660 flat angles C4'-P-C4' energy: -25.262 flat angles P-C4'-P energy: -19.997 tors. eta vs tors. theta energy: -32.370 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: 318 Temperature: 1.000000 Total energy: -363.503085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.503085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.503085 (E_RNA) where: Base-Base interactions energy: -251.914 where: short stacking energy: -92.611 Base-Backbone interact. energy: -0.060 local terms energy: -111.528612 where: bonds (distance) C4'-P energy: -20.015 bonds (distance) P-C4' energy: -22.487 flat angles C4'-P-C4' energy: -25.512 flat angles P-C4'-P energy: -18.681 tors. eta vs tors. theta energy: -24.833 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: 318 Temperature: 1.050000 Total energy: -387.966980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.966980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.966980 (E_RNA) where: Base-Base interactions energy: -277.754 where: short stacking energy: -118.677 Base-Backbone interact. energy: -0.803 local terms energy: -109.409535 where: bonds (distance) C4'-P energy: -21.163 bonds (distance) P-C4' energy: -17.753 flat angles C4'-P-C4' energy: -23.584 flat angles P-C4'-P energy: -13.928 tors. eta vs tors. theta energy: -32.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -342.935152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.935152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.935152 (E_RNA) where: Base-Base interactions energy: -229.214 where: short stacking energy: -116.819 Base-Backbone interact. energy: -0.520 local terms energy: -113.201138 where: bonds (distance) C4'-P energy: -18.598 bonds (distance) P-C4' energy: -19.188 flat angles C4'-P-C4' energy: -26.107 flat angles P-C4'-P energy: -12.585 tors. eta vs tors. theta energy: -36.722 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: 318 Temperature: 1.150000 Total energy: -324.210184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.210184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.210184 (E_RNA) where: Base-Base interactions energy: -218.438 where: short stacking energy: -79.532 Base-Backbone interact. energy: -0.337 local terms energy: -105.434779 where: bonds (distance) C4'-P energy: -20.402 bonds (distance) P-C4' energy: -24.535 flat angles C4'-P-C4' energy: -23.441 flat angles P-C4'-P energy: -12.073 tors. eta vs tors. theta energy: -24.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -256.831665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.831665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.831665 (E_RNA) where: Base-Base interactions energy: -169.242 where: short stacking energy: -73.317 Base-Backbone interact. energy: -0.862 local terms energy: -86.727881 where: bonds (distance) C4'-P energy: -19.572 bonds (distance) P-C4' energy: -25.178 flat angles C4'-P-C4' energy: -21.256 flat angles P-C4'-P energy: -7.040 tors. eta vs tors. theta energy: -13.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -189.450113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.450113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.450113 (E_RNA) where: Base-Base interactions energy: -105.965 where: short stacking energy: -55.306 Base-Backbone interact. energy: -1.032 local terms energy: -82.453098 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -26.872 flat angles C4'-P-C4' energy: -17.641 flat angles P-C4'-P energy: -13.762 tors. eta vs tors. theta energy: -10.776 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: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -202.843842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.843842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.843842 (E_RNA) where: Base-Base interactions energy: -112.215 where: short stacking energy: -65.313 Base-Backbone interact. energy: -1.029 local terms energy: -89.599357 where: bonds (distance) C4'-P energy: -18.800 bonds (distance) P-C4' energy: -22.758 flat angles C4'-P-C4' energy: -20.983 flat angles P-C4'-P energy: -16.346 tors. eta vs tors. theta energy: -10.713 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: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -129.255722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.255722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.255722 (E_RNA) where: Base-Base interactions energy: -52.168 where: short stacking energy: -50.437 Base-Backbone interact. energy: 0.400 local terms energy: -77.488450 where: bonds (distance) C4'-P energy: -22.000 bonds (distance) P-C4' energy: -24.482 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -13.330 tors. eta vs tors. theta energy: -8.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -407.890954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.890954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.890954 (E_RNA) where: Base-Base interactions energy: -279.697 where: short stacking energy: -110.615 Base-Backbone interact. energy: -0.650 local terms energy: -127.544389 where: bonds (distance) C4'-P energy: -25.082 bonds (distance) P-C4' energy: -29.016 flat angles C4'-P-C4' energy: -22.104 flat angles P-C4'-P energy: -21.495 tors. eta vs tors. theta energy: -29.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -392.347582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.347582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.347582 (E_RNA) where: Base-Base interactions energy: -276.135 where: short stacking energy: -103.439 Base-Backbone interact. energy: -0.170 local terms energy: -116.042226 where: bonds (distance) C4'-P energy: -23.342 bonds (distance) P-C4' energy: -24.238 flat angles C4'-P-C4' energy: -23.458 flat angles P-C4'-P energy: -14.920 tors. eta vs tors. theta energy: -30.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -371.282990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.282990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.282990 (E_RNA) where: Base-Base interactions energy: -251.445 where: short stacking energy: -112.027 Base-Backbone interact. energy: -0.851 local terms energy: -118.986310 where: bonds (distance) C4'-P energy: -21.657 bonds (distance) P-C4' energy: -23.243 flat angles C4'-P-C4' energy: -25.810 flat angles P-C4'-P energy: -16.378 tors. eta vs tors. theta energy: -31.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -353.722146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.722146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.722146 (E_RNA) where: Base-Base interactions energy: -232.850 where: short stacking energy: -125.602 Base-Backbone interact. energy: -0.621 local terms energy: -120.250474 where: bonds (distance) C4'-P energy: -20.945 bonds (distance) P-C4' energy: -25.749 flat angles C4'-P-C4' energy: -22.739 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -38.122 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: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -374.208855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.208855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.208855 (E_RNA) where: Base-Base interactions energy: -263.480 where: short stacking energy: -109.480 Base-Backbone interact. energy: -0.029 local terms energy: -110.700168 where: bonds (distance) C4'-P energy: -20.647 bonds (distance) P-C4' energy: -20.801 flat angles C4'-P-C4' energy: -22.469 flat angles P-C4'-P energy: -15.687 tors. eta vs tors. theta energy: -31.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -325.522643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.522643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.522643 (E_RNA) where: Base-Base interactions energy: -225.190 where: short stacking energy: -91.136 Base-Backbone interact. energy: -0.969 local terms energy: -99.363761 where: bonds (distance) C4'-P energy: -18.961 bonds (distance) P-C4' energy: -16.797 flat angles C4'-P-C4' energy: -22.996 flat angles P-C4'-P energy: -14.245 tors. eta vs tors. theta energy: -26.363 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: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -258.647886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.647886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.647886 (E_RNA) where: Base-Base interactions energy: -175.903 where: short stacking energy: -75.040 Base-Backbone interact. energy: 0.395 local terms energy: -83.139919 where: bonds (distance) C4'-P energy: -15.511 bonds (distance) P-C4' energy: -17.131 flat angles C4'-P-C4' energy: -16.356 flat angles P-C4'-P energy: -18.085 tors. eta vs tors. theta energy: -16.057 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: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -219.581231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.581231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.581231 (E_RNA) where: Base-Base interactions energy: -134.683 where: short stacking energy: -67.481 Base-Backbone interact. energy: -0.903 local terms energy: -83.995526 where: bonds (distance) C4'-P energy: -21.810 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -18.340 flat angles P-C4'-P energy: -16.918 tors. eta vs tors. theta energy: -11.276 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: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -192.812642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.812642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.812642 (E_RNA) where: Base-Base interactions energy: -114.930 where: short stacking energy: -71.894 Base-Backbone interact. energy: 0.342 local terms energy: -78.224188 where: bonds (distance) C4'-P energy: -22.453 bonds (distance) P-C4' energy: -19.773 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -13.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -129.916565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.916565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.916565 (E_RNA) where: Base-Base interactions energy: -43.120 where: short stacking energy: -43.120 Base-Backbone interact. energy: 3.711 local terms energy: -90.507406 where: bonds (distance) C4'-P energy: -20.851 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -23.524 flat angles P-C4'-P energy: -20.708 tors. eta vs tors. theta energy: -9.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -394.672065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.672065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.672065 (E_RNA) where: Base-Base interactions energy: -274.910 where: short stacking energy: -116.138 Base-Backbone interact. energy: -2.266 local terms energy: -117.496211 where: bonds (distance) C4'-P energy: -26.444 bonds (distance) P-C4' energy: -22.095 flat angles C4'-P-C4' energy: -25.040 flat angles P-C4'-P energy: -15.505 tors. eta vs tors. theta energy: -28.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -399.563791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.563791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.563791 (E_RNA) where: Base-Base interactions energy: -281.084 where: short stacking energy: -115.328 Base-Backbone interact. energy: -0.315 local terms energy: -118.164834 where: bonds (distance) C4'-P energy: -21.851 bonds (distance) P-C4' energy: -18.625 flat angles C4'-P-C4' energy: -24.404 flat angles P-C4'-P energy: -18.260 tors. eta vs tors. theta energy: -35.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -369.478238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.478238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.478238 (E_RNA) where: Base-Base interactions energy: -247.523 where: short stacking energy: -123.365 Base-Backbone interact. energy: -0.005 local terms energy: -121.950767 where: bonds (distance) C4'-P energy: -17.716 bonds (distance) P-C4' energy: -21.799 flat angles C4'-P-C4' energy: -25.488 flat angles P-C4'-P energy: -18.003 tors. eta vs tors. theta energy: -38.944 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: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -348.287413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.287413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.287413 (E_RNA) where: Base-Base interactions energy: -246.132 where: short stacking energy: -95.596 Base-Backbone interact. energy: -0.400 local terms energy: -101.754580 where: bonds (distance) C4'-P energy: -22.448 bonds (distance) P-C4' energy: -17.846 flat angles C4'-P-C4' energy: -24.741 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -25.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -370.392744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.392744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.392744 (E_RNA) where: Base-Base interactions energy: -255.309 where: short stacking energy: -108.496 Base-Backbone interact. energy: -0.554 local terms energy: -114.529722 where: bonds (distance) C4'-P energy: -19.721 bonds (distance) P-C4' energy: -20.977 flat angles C4'-P-C4' energy: -25.175 flat angles P-C4'-P energy: -15.463 tors. eta vs tors. theta energy: -33.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -317.996872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.996872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.996872 (E_RNA) where: Base-Base interactions energy: -219.012 where: short stacking energy: -95.025 Base-Backbone interact. energy: -0.326 local terms energy: -98.658528 where: bonds (distance) C4'-P energy: -19.157 bonds (distance) P-C4' energy: -21.797 flat angles C4'-P-C4' energy: -22.568 flat angles P-C4'-P energy: -12.842 tors. eta vs tors. theta energy: -22.295 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: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -241.316448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.316448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.316448 (E_RNA) where: Base-Base interactions energy: -158.611 where: short stacking energy: -76.581 Base-Backbone interact. energy: -0.417 local terms energy: -82.288072 where: bonds (distance) C4'-P energy: -11.018 bonds (distance) P-C4' energy: -22.848 flat angles C4'-P-C4' energy: -19.431 flat angles P-C4'-P energy: -14.222 tors. eta vs tors. theta energy: -14.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -235.659199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.659199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.659199 (E_RNA) where: Base-Base interactions energy: -149.024 where: short stacking energy: -70.119 Base-Backbone interact. energy: -0.237 local terms energy: -86.397315 where: bonds (distance) C4'-P energy: -22.534 bonds (distance) P-C4' energy: -18.548 flat angles C4'-P-C4' energy: -23.403 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -238.095157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.095157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.095157 (E_RNA) where: Base-Base interactions energy: -146.195 where: short stacking energy: -66.566 Base-Backbone interact. energy: -0.012 local terms energy: -91.887948 where: bonds (distance) C4'-P energy: -18.942 bonds (distance) P-C4' energy: -17.810 flat angles C4'-P-C4' energy: -22.652 flat angles P-C4'-P energy: -17.567 tors. eta vs tors. theta energy: -14.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -113.819825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.819825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.819825 (E_RNA) where: Base-Base interactions energy: -48.370 where: short stacking energy: -42.526 Base-Backbone interact. energy: -0.438 local terms energy: -65.011690 where: bonds (distance) C4'-P energy: -20.821 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -396.564010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.564010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.564010 (E_RNA) where: Base-Base interactions energy: -265.031 where: short stacking energy: -119.513 Base-Backbone interact. energy: -1.457 local terms energy: -130.076350 where: bonds (distance) C4'-P energy: -26.557 bonds (distance) P-C4' energy: -24.494 flat angles C4'-P-C4' energy: -26.441 flat angles P-C4'-P energy: -23.318 tors. eta vs tors. theta energy: -29.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -395.609504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.609504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.609504 (E_RNA) where: Base-Base interactions energy: -273.511 where: short stacking energy: -113.012 Base-Backbone interact. energy: 0.296 local terms energy: -122.394628 where: bonds (distance) C4'-P energy: -25.436 bonds (distance) P-C4' energy: -26.420 flat angles C4'-P-C4' energy: -27.869 flat angles P-C4'-P energy: -14.536 tors. eta vs tors. theta energy: -28.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -369.584551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.584551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.584551 (E_RNA) where: Base-Base interactions energy: -242.981 where: short stacking energy: -119.416 Base-Backbone interact. energy: -0.408 local terms energy: -126.195286 where: bonds (distance) C4'-P energy: -22.955 bonds (distance) P-C4' energy: -21.644 flat angles C4'-P-C4' energy: -23.989 flat angles P-C4'-P energy: -20.270 tors. eta vs tors. theta energy: -37.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -385.147521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.147521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.147521 (E_RNA) where: Base-Base interactions energy: -257.824 where: short stacking energy: -113.124 Base-Backbone interact. energy: -0.016 local terms energy: -127.306908 where: bonds (distance) C4'-P energy: -19.122 bonds (distance) P-C4' energy: -21.742 flat angles C4'-P-C4' energy: -27.269 flat angles P-C4'-P energy: -19.013 tors. eta vs tors. theta energy: -40.160 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: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -330.730130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.730130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.730130 (E_RNA) where: Base-Base interactions energy: -232.651 where: short stacking energy: -93.886 Base-Backbone interact. energy: 0.765 local terms energy: -98.844224 where: bonds (distance) C4'-P energy: -19.633 bonds (distance) P-C4' energy: -21.940 flat angles C4'-P-C4' energy: -23.424 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -24.383 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: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -339.499825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.499825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.499825 (E_RNA) where: Base-Base interactions energy: -231.325 where: short stacking energy: -94.847 Base-Backbone interact. energy: -0.742 local terms energy: -107.432606 where: bonds (distance) C4'-P energy: -17.953 bonds (distance) P-C4' energy: -19.453 flat angles C4'-P-C4' energy: -27.023 flat angles P-C4'-P energy: -17.346 tors. eta vs tors. theta energy: -25.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -243.348675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.348675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.348675 (E_RNA) where: Base-Base interactions energy: -148.234 where: short stacking energy: -59.802 Base-Backbone interact. energy: -2.094 local terms energy: -93.021253 where: bonds (distance) C4'-P energy: -15.205 bonds (distance) P-C4' energy: -28.063 flat angles C4'-P-C4' energy: -25.620 flat angles P-C4'-P energy: -17.946 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -230.800499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.800499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.800499 (E_RNA) where: Base-Base interactions energy: -144.985 where: short stacking energy: -70.766 Base-Backbone interact. energy: 0.897 local terms energy: -86.712386 where: bonds (distance) C4'-P energy: -22.037 bonds (distance) P-C4' energy: -22.044 flat angles C4'-P-C4' energy: -23.873 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -9.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -243.607531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.607531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.607531 (E_RNA) where: Base-Base interactions energy: -153.207 where: short stacking energy: -71.916 Base-Backbone interact. energy: 0.998 local terms energy: -91.398528 where: bonds (distance) C4'-P energy: -18.873 bonds (distance) P-C4' energy: -16.778 flat angles C4'-P-C4' energy: -28.168 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -19.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -116.911502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.911502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.911502 (E_RNA) where: Base-Base interactions energy: -54.397 where: short stacking energy: -44.719 Base-Backbone interact. energy: 5.972 local terms energy: -68.486896 where: bonds (distance) C4'-P energy: -19.388 bonds (distance) P-C4' energy: -17.944 flat angles C4'-P-C4' energy: -18.774 flat angles P-C4'-P energy: -7.935 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: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -405.948180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.948180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.948180 (E_RNA) where: Base-Base interactions energy: -288.619 where: short stacking energy: -111.376 Base-Backbone interact. energy: -0.109 local terms energy: -117.220166 where: bonds (distance) C4'-P energy: -23.867 bonds (distance) P-C4' energy: -17.123 flat angles C4'-P-C4' energy: -28.334 flat angles P-C4'-P energy: -17.208 tors. eta vs tors. theta energy: -30.689 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: 2, replica: 9 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -374.120181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.120181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.120181 (E_RNA) where: Base-Base interactions energy: -256.070 where: short stacking energy: -106.037 Base-Backbone interact. energy: -0.665 local terms energy: -117.385795 where: bonds (distance) C4'-P energy: -22.240 bonds (distance) P-C4' energy: -22.460 flat angles C4'-P-C4' energy: -24.501 flat angles P-C4'-P energy: -15.705 tors. eta vs tors. theta energy: -32.480 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: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -390.502062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.502062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.502062 (E_RNA) where: Base-Base interactions energy: -273.082 where: short stacking energy: -118.298 Base-Backbone interact. energy: -0.100 local terms energy: -117.320046 where: bonds (distance) C4'-P energy: -27.494 bonds (distance) P-C4' energy: -20.016 flat angles C4'-P-C4' energy: -21.434 flat angles P-C4'-P energy: -12.321 tors. eta vs tors. theta energy: -36.055 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: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -361.098016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.098016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.098016 (E_RNA) where: Base-Base interactions energy: -239.457 where: short stacking energy: -117.236 Base-Backbone interact. energy: -0.327 local terms energy: -121.314259 where: bonds (distance) C4'-P energy: -22.429 bonds (distance) P-C4' energy: -24.623 flat angles C4'-P-C4' energy: -23.354 flat angles P-C4'-P energy: -17.096 tors. eta vs tors. theta energy: -33.812 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: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -347.706310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.706310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.706310 (E_RNA) where: Base-Base interactions energy: -237.801 where: short stacking energy: -98.280 Base-Backbone interact. energy: -0.122 local terms energy: -109.783115 where: bonds (distance) C4'-P energy: -17.731 bonds (distance) P-C4' energy: -24.669 flat angles C4'-P-C4' energy: -23.786 flat angles P-C4'-P energy: -13.234 tors. eta vs tors. theta energy: -30.362 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: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -295.789701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.789701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.789701 (E_RNA) where: Base-Base interactions energy: -195.905 where: short stacking energy: -98.069 Base-Backbone interact. energy: -0.758 local terms energy: -99.127441 where: bonds (distance) C4'-P energy: -21.501 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -22.742 flat angles P-C4'-P energy: -11.421 tors. eta vs tors. theta energy: -25.947 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: 7 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -250.064689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.064689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.064689 (E_RNA) where: Base-Base interactions energy: -155.208 where: short stacking energy: -73.438 Base-Backbone interact. energy: -0.945 local terms energy: -93.911189 where: bonds (distance) C4'-P energy: -20.513 bonds (distance) P-C4' energy: -24.695 flat angles C4'-P-C4' energy: -23.591 flat angles P-C4'-P energy: -17.647 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: 8, replica: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -237.663674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.663674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.663674 (E_RNA) where: Base-Base interactions energy: -148.822 where: short stacking energy: -75.455 Base-Backbone interact. energy: 1.409 local terms energy: -90.250019 where: bonds (distance) C4'-P energy: -16.035 bonds (distance) P-C4' energy: -18.502 flat angles C4'-P-C4' energy: -23.303 flat angles P-C4'-P energy: -16.599 tors. eta vs tors. theta energy: -15.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -233.313708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.313708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.313708 (E_RNA) where: Base-Base interactions energy: -140.992 where: short stacking energy: -60.016 Base-Backbone interact. energy: -2.228 local terms energy: -90.092867 where: bonds (distance) C4'-P energy: -25.055 bonds (distance) P-C4' energy: -24.231 flat angles C4'-P-C4' energy: -16.812 flat angles P-C4'-P energy: -15.971 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: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -131.064732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.064732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.064732 (E_RNA) where: Base-Base interactions energy: -57.529 where: short stacking energy: -39.333 Base-Backbone interact. energy: -0.182 local terms energy: -73.353591 where: bonds (distance) C4'-P energy: -24.198 bonds (distance) P-C4' energy: -20.932 flat angles C4'-P-C4' energy: -17.650 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: 0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -409.264696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.264696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.264696 (E_RNA) where: Base-Base interactions energy: -291.449 where: short stacking energy: -111.716 Base-Backbone interact. energy: -0.198 local terms energy: -117.617911 where: bonds (distance) C4'-P energy: -18.824 bonds (distance) P-C4' energy: -26.855 flat angles C4'-P-C4' energy: -25.947 flat angles P-C4'-P energy: -18.709 tors. eta vs tors. theta energy: -27.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -366.354782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.354782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.354782 (E_RNA) where: Base-Base interactions energy: -244.636 where: short stacking energy: -106.361 Base-Backbone interact. energy: -0.453 local terms energy: -121.265772 where: bonds (distance) C4'-P energy: -24.053 bonds (distance) P-C4' energy: -26.885 flat angles C4'-P-C4' energy: -26.095 flat angles P-C4'-P energy: -17.847 tors. eta vs tors. theta energy: -26.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -378.431143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.431143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.431143 (E_RNA) where: Base-Base interactions energy: -253.690 where: short stacking energy: -111.943 Base-Backbone interact. energy: -1.023 local terms energy: -123.717905 where: bonds (distance) C4'-P energy: -23.572 bonds (distance) P-C4' energy: -24.779 flat angles C4'-P-C4' energy: -25.463 flat angles P-C4'-P energy: -16.829 tors. eta vs tors. theta energy: -33.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -346.008052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.008052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.008052 (E_RNA) where: Base-Base interactions energy: -233.440 where: short stacking energy: -101.998 Base-Backbone interact. energy: -0.410 local terms energy: -112.158763 where: bonds (distance) C4'-P energy: -19.117 bonds (distance) P-C4' energy: -23.406 flat angles C4'-P-C4' energy: -27.039 flat angles P-C4'-P energy: -15.870 tors. eta vs tors. theta energy: -26.728 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: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -330.343594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.343594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.343594 (E_RNA) where: Base-Base interactions energy: -221.085 where: short stacking energy: -107.136 Base-Backbone interact. energy: -0.804 local terms energy: -108.453962 where: bonds (distance) C4'-P energy: -18.089 bonds (distance) P-C4' energy: -17.607 flat angles C4'-P-C4' energy: -27.471 flat angles P-C4'-P energy: -15.010 tors. eta vs tors. theta energy: -30.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -291.274421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.274421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.274421 (E_RNA) where: Base-Base interactions energy: -182.568 where: short stacking energy: -77.501 Base-Backbone interact. energy: -0.162 local terms energy: -108.543655 where: bonds (distance) C4'-P energy: -21.042 bonds (distance) P-C4' energy: -25.412 flat angles C4'-P-C4' energy: -24.289 flat angles P-C4'-P energy: -15.517 tors. eta vs tors. theta energy: -22.283 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: 7, replica: 7 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -235.748133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.748133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.748133 (E_RNA) where: Base-Base interactions energy: -150.341 where: short stacking energy: -75.235 Base-Backbone interact. energy: 0.532 local terms energy: -85.938453 where: bonds (distance) C4'-P energy: -21.491 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -21.845 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -194.990723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.990723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.990723 (E_RNA) where: Base-Base interactions energy: -112.198 where: short stacking energy: -67.610 Base-Backbone interact. energy: 2.791 local terms energy: -85.584224 where: bonds (distance) C4'-P energy: -20.443 bonds (distance) P-C4' energy: -22.229 flat angles C4'-P-C4' energy: -24.176 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -12.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -221.272203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.272203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.272203 (E_RNA) where: Base-Base interactions energy: -147.265 where: short stacking energy: -68.648 Base-Backbone interact. energy: 0.165 local terms energy: -74.172194 where: bonds (distance) C4'-P energy: -19.809 bonds (distance) P-C4' energy: -23.783 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -124.066163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.066163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.066163 (E_RNA) where: Base-Base interactions energy: -54.838 where: short stacking energy: -29.286 Base-Backbone interact. energy: -0.372 local terms energy: -68.856858 where: bonds (distance) C4'-P energy: -21.750 bonds (distance) P-C4' energy: -21.818 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -8.827 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -410.595882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.595882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.595882 (E_RNA) where: Base-Base interactions energy: -290.310 where: short stacking energy: -122.056 Base-Backbone interact. energy: -0.362 local terms energy: -119.923910 where: bonds (distance) C4'-P energy: -23.073 bonds (distance) P-C4' energy: -23.785 flat angles C4'-P-C4' energy: -28.381 flat angles P-C4'-P energy: -15.213 tors. eta vs tors. theta energy: -29.472 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: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -357.869269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.869269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.869269 (E_RNA) where: Base-Base interactions energy: -231.946 where: short stacking energy: -96.242 Base-Backbone interact. energy: -1.091 local terms energy: -124.832143 where: bonds (distance) C4'-P energy: -22.435 bonds (distance) P-C4' energy: -26.192 flat angles C4'-P-C4' energy: -25.708 flat angles P-C4'-P energy: -20.309 tors. eta vs tors. theta energy: -30.188 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: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -376.085004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.085004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.085004 (E_RNA) where: Base-Base interactions energy: -256.790 where: short stacking energy: -106.790 Base-Backbone interact. energy: -0.229 local terms energy: -119.066287 where: bonds (distance) C4'-P energy: -26.729 bonds (distance) P-C4' energy: -21.063 flat angles C4'-P-C4' energy: -26.478 flat angles P-C4'-P energy: -14.481 tors. eta vs tors. theta energy: -30.315 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: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -344.836701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.836701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.836701 (E_RNA) where: Base-Base interactions energy: -226.310 where: short stacking energy: -102.301 Base-Backbone interact. energy: -1.716 local terms energy: -116.811492 where: bonds (distance) C4'-P energy: -20.866 bonds (distance) P-C4' energy: -22.753 flat angles C4'-P-C4' energy: -20.415 flat angles P-C4'-P energy: -22.393 tors. eta vs tors. theta energy: -30.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -330.710906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.710906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.710906 (E_RNA) where: Base-Base interactions energy: -214.345 where: short stacking energy: -99.176 Base-Backbone interact. energy: -0.003 local terms energy: -116.362782 where: bonds (distance) C4'-P energy: -24.243 bonds (distance) P-C4' energy: -21.114 flat angles C4'-P-C4' energy: -28.496 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -33.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -331.794807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.794807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.794807 (E_RNA) where: Base-Base interactions energy: -223.017 where: short stacking energy: -115.745 Base-Backbone interact. energy: -0.007 local terms energy: -108.770897 where: bonds (distance) C4'-P energy: -18.108 bonds (distance) P-C4' energy: -23.486 flat angles C4'-P-C4' energy: -24.293 flat angles P-C4'-P energy: -13.287 tors. eta vs tors. theta energy: -29.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -246.004353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.004353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.004353 (E_RNA) where: Base-Base interactions energy: -162.683 where: short stacking energy: -82.419 Base-Backbone interact. energy: -0.550 local terms energy: -82.772107 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -21.639 flat angles C4'-P-C4' energy: -24.066 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -11.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -216.312329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.312329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.312329 (E_RNA) where: Base-Base interactions energy: -140.161 where: short stacking energy: -70.766 Base-Backbone interact. energy: -0.150 local terms energy: -76.001334 where: bonds (distance) C4'-P energy: -19.221 bonds (distance) P-C4' energy: -20.316 flat angles C4'-P-C4' energy: -17.234 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: -9.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -241.541296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.541296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.541296 (E_RNA) where: Base-Base interactions energy: -151.180 where: short stacking energy: -71.956 Base-Backbone interact. energy: 1.234 local terms energy: -91.594883 where: bonds (distance) C4'-P energy: -20.641 bonds (distance) P-C4' energy: -26.819 flat angles C4'-P-C4' energy: -20.335 flat angles P-C4'-P energy: -11.679 tors. eta vs tors. theta energy: -12.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -119.514215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.514215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.514215 (E_RNA) where: Base-Base interactions energy: -41.637 where: short stacking energy: -38.018 Base-Backbone interact. energy: -0.206 local terms energy: -77.671758 where: bonds (distance) C4'-P energy: -23.895 bonds (distance) P-C4' energy: -22.374 flat angles C4'-P-C4' energy: -18.342 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -403.187183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.187183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.187183 (E_RNA) where: Base-Base interactions energy: -283.454 where: short stacking energy: -114.436 Base-Backbone interact. energy: -0.104 local terms energy: -119.629159 where: bonds (distance) C4'-P energy: -27.370 bonds (distance) P-C4' energy: -21.807 flat angles C4'-P-C4' energy: -27.858 flat angles P-C4'-P energy: -15.174 tors. eta vs tors. theta energy: -27.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -354.457082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.457082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.457082 (E_RNA) where: Base-Base interactions energy: -237.929 where: short stacking energy: -105.431 Base-Backbone interact. energy: -1.328 local terms energy: -115.200755 where: bonds (distance) C4'-P energy: -20.907 bonds (distance) P-C4' energy: -25.352 flat angles C4'-P-C4' energy: -23.332 flat angles P-C4'-P energy: -18.555 tors. eta vs tors. theta energy: -27.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -351.287722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.287722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.287722 (E_RNA) where: Base-Base interactions energy: -234.489 where: short stacking energy: -94.954 Base-Backbone interact. energy: -0.128 local terms energy: -116.670042 where: bonds (distance) C4'-P energy: -21.279 bonds (distance) P-C4' energy: -22.576 flat angles C4'-P-C4' energy: -27.533 flat angles P-C4'-P energy: -17.684 tors. eta vs tors. theta energy: -27.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -361.259841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.259841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.259841 (E_RNA) where: Base-Base interactions energy: -249.706 where: short stacking energy: -108.363 Base-Backbone interact. energy: -1.566 local terms energy: -109.987852 where: bonds (distance) C4'-P energy: -16.768 bonds (distance) P-C4' energy: -22.105 flat angles C4'-P-C4' energy: -27.415 flat angles P-C4'-P energy: -16.435 tors. eta vs tors. theta energy: -27.264 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: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -320.730648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.730648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.730648 (E_RNA) where: Base-Base interactions energy: -214.660 where: short stacking energy: -98.590 Base-Backbone interact. energy: -0.027 local terms energy: -106.043511 where: bonds (distance) C4'-P energy: -19.548 bonds (distance) P-C4' energy: -22.416 flat angles C4'-P-C4' energy: -19.286 flat angles P-C4'-P energy: -15.147 tors. eta vs tors. theta energy: -29.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -347.280330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.280330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.280330 (E_RNA) where: Base-Base interactions energy: -230.332 where: short stacking energy: -119.023 Base-Backbone interact. energy: -0.003 local terms energy: -116.945345 where: bonds (distance) C4'-P energy: -24.910 bonds (distance) P-C4' energy: -21.054 flat angles C4'-P-C4' energy: -22.352 flat angles P-C4'-P energy: -14.938 tors. eta vs tors. theta energy: -33.692 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: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -219.619387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.619387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.619387 (E_RNA) where: Base-Base interactions energy: -134.985 where: short stacking energy: -64.335 Base-Backbone interact. energy: 0.537 local terms energy: -85.170553 where: bonds (distance) C4'-P energy: -21.011 bonds (distance) P-C4' energy: -21.206 flat angles C4'-P-C4' energy: -17.070 flat angles P-C4'-P energy: -13.075 tors. eta vs tors. theta energy: -12.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -251.983595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.983595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.983595 (E_RNA) where: Base-Base interactions energy: -159.522 where: short stacking energy: -72.976 Base-Backbone interact. energy: -1.238 local terms energy: -91.224121 where: bonds (distance) C4'-P energy: -15.339 bonds (distance) P-C4' energy: -20.691 flat angles C4'-P-C4' energy: -20.643 flat angles P-C4'-P energy: -17.973 tors. eta vs tors. theta energy: -16.578 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: 9, replica: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -228.825383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.825383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.825383 (E_RNA) where: Base-Base interactions energy: -137.849 where: short stacking energy: -59.728 Base-Backbone interact. energy: -0.514 local terms energy: -90.462520 where: bonds (distance) C4'-P energy: -21.459 bonds (distance) P-C4' energy: -24.437 flat angles C4'-P-C4' energy: -20.352 flat angles P-C4'-P energy: -13.868 tors. eta vs tors. theta energy: -10.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -128.431045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.431045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.431045 (E_RNA) where: Base-Base interactions energy: -44.106 where: short stacking energy: -42.980 Base-Backbone interact. energy: 1.615 local terms energy: -85.940022 where: bonds (distance) C4'-P energy: -17.608 bonds (distance) P-C4' energy: -27.228 flat angles C4'-P-C4' energy: -19.071 flat angles P-C4'-P energy: -15.880 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -415.461405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.461405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.461405 (E_RNA) where: Base-Base interactions energy: -287.507 where: short stacking energy: -122.952 Base-Backbone interact. energy: -1.712 local terms energy: -126.242487 where: bonds (distance) C4'-P energy: -21.127 bonds (distance) P-C4' energy: -23.955 flat angles C4'-P-C4' energy: -25.966 flat angles P-C4'-P energy: -20.536 tors. eta vs tors. theta energy: -34.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -376.261753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.261753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.261753 (E_RNA) where: Base-Base interactions energy: -242.324 where: short stacking energy: -119.471 Base-Backbone interact. energy: -1.423 local terms energy: -132.514230 where: bonds (distance) C4'-P energy: -27.655 bonds (distance) P-C4' energy: -22.604 flat angles C4'-P-C4' energy: -28.129 flat angles P-C4'-P energy: -19.997 tors. eta vs tors. theta energy: -34.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -357.191866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.191866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.191866 (E_RNA) where: Base-Base interactions energy: -241.765 where: short stacking energy: -102.704 Base-Backbone interact. energy: -0.539 local terms energy: -114.887550 where: bonds (distance) C4'-P energy: -23.454 bonds (distance) P-C4' energy: -24.484 flat angles C4'-P-C4' energy: -22.418 flat angles P-C4'-P energy: -16.902 tors. eta vs tors. theta energy: -27.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -340.285966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.285966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.285966 (E_RNA) where: Base-Base interactions energy: -231.077 where: short stacking energy: -79.307 Base-Backbone interact. energy: 0.292 local terms energy: -109.501014 where: bonds (distance) C4'-P energy: -26.898 bonds (distance) P-C4' energy: -25.947 flat angles C4'-P-C4' energy: -21.305 flat angles P-C4'-P energy: -18.173 tors. eta vs tors. theta energy: -17.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -349.504046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.504046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.504046 (E_RNA) where: Base-Base interactions energy: -225.557 where: short stacking energy: -113.896 Base-Backbone interact. energy: -0.816 local terms energy: -123.130943 where: bonds (distance) C4'-P energy: -23.918 bonds (distance) P-C4' energy: -23.875 flat angles C4'-P-C4' energy: -25.036 flat angles P-C4'-P energy: -14.945 tors. eta vs tors. theta energy: -35.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -312.088018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.088018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.088018 (E_RNA) where: Base-Base interactions energy: -210.017 where: short stacking energy: -76.084 Base-Backbone interact. energy: -1.792 local terms energy: -100.279594 where: bonds (distance) C4'-P energy: -20.786 bonds (distance) P-C4' energy: -21.394 flat angles C4'-P-C4' energy: -24.028 flat angles P-C4'-P energy: -16.385 tors. eta vs tors. theta energy: -17.687 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: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -247.579695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.579695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.579695 (E_RNA) where: Base-Base interactions energy: -154.750 where: short stacking energy: -72.900 Base-Backbone interact. energy: -0.314 local terms energy: -92.514775 where: bonds (distance) C4'-P energy: -15.488 bonds (distance) P-C4' energy: -24.506 flat angles C4'-P-C4' energy: -24.119 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -16.464 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: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -236.590041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.590041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.590041 (E_RNA) where: Base-Base interactions energy: -140.277 where: short stacking energy: -71.171 Base-Backbone interact. energy: -0.219 local terms energy: -96.093796 where: bonds (distance) C4'-P energy: -18.138 bonds (distance) P-C4' energy: -21.440 flat angles C4'-P-C4' energy: -21.736 flat angles P-C4'-P energy: -16.279 tors. eta vs tors. theta energy: -18.501 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: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -226.442950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.442950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.442950 (E_RNA) where: Base-Base interactions energy: -139.719 where: short stacking energy: -68.845 Base-Backbone interact. energy: -0.536 local terms energy: -86.187926 where: bonds (distance) C4'-P energy: -21.085 bonds (distance) P-C4' energy: -21.708 flat angles C4'-P-C4' energy: -20.211 flat angles P-C4'-P energy: -17.811 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: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -117.877801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.877801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.877801 (E_RNA) where: Base-Base interactions energy: -51.669 where: short stacking energy: -30.095 Base-Backbone interact. energy: -0.017 local terms energy: -66.191851 where: bonds (distance) C4'-P energy: -22.683 bonds (distance) P-C4' energy: -20.343 flat angles C4'-P-C4' energy: -16.817 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: 3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -419.605499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.605499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.605499 (E_RNA) where: Base-Base interactions energy: -292.588 where: short stacking energy: -123.479 Base-Backbone interact. energy: -1.010 local terms energy: -126.007250 where: bonds (distance) C4'-P energy: -22.889 bonds (distance) P-C4' energy: -25.039 flat angles C4'-P-C4' energy: -23.626 flat angles P-C4'-P energy: -18.144 tors. eta vs tors. theta energy: -36.309 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: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -377.335159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.335159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.335159 (E_RNA) where: Base-Base interactions energy: -246.839 where: short stacking energy: -116.751 Base-Backbone interact. energy: -2.103 local terms energy: -128.393515 where: bonds (distance) C4'-P energy: -22.033 bonds (distance) P-C4' energy: -21.523 flat angles C4'-P-C4' energy: -26.340 flat angles P-C4'-P energy: -21.147 tors. eta vs tors. theta energy: -37.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -353.959883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.959883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.959883 (E_RNA) where: Base-Base interactions energy: -245.396 where: short stacking energy: -99.934 Base-Backbone interact. energy: -0.112 local terms energy: -108.451487 where: bonds (distance) C4'-P energy: -22.709 bonds (distance) P-C4' energy: -24.285 flat angles C4'-P-C4' energy: -23.616 flat angles P-C4'-P energy: -14.042 tors. eta vs tors. theta energy: -23.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -352.946773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.946773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.946773 (E_RNA) where: Base-Base interactions energy: -229.463 where: short stacking energy: -110.730 Base-Backbone interact. energy: -0.184 local terms energy: -123.299812 where: bonds (distance) C4'-P energy: -21.906 bonds (distance) P-C4' energy: -25.610 flat angles C4'-P-C4' energy: -25.155 flat angles P-C4'-P energy: -20.473 tors. eta vs tors. theta energy: -30.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -341.579711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.579711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.579711 (E_RNA) where: Base-Base interactions energy: -236.998 where: short stacking energy: -101.938 Base-Backbone interact. energy: -0.923 local terms energy: -103.658145 where: bonds (distance) C4'-P energy: -15.923 bonds (distance) P-C4' energy: -21.072 flat angles C4'-P-C4' energy: -23.559 flat angles P-C4'-P energy: -19.422 tors. eta vs tors. theta energy: -23.682 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: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -296.363401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.363401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.363401 (E_RNA) where: Base-Base interactions energy: -179.748 where: short stacking energy: -82.322 Base-Backbone interact. energy: -0.594 local terms energy: -116.021848 where: bonds (distance) C4'-P energy: -24.070 bonds (distance) P-C4' energy: -28.402 flat angles C4'-P-C4' energy: -20.942 flat angles P-C4'-P energy: -19.572 tors. eta vs tors. theta energy: -23.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -242.232464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.232464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.232464 (E_RNA) where: Base-Base interactions energy: -151.928 where: short stacking energy: -61.884 Base-Backbone interact. energy: -0.601 local terms energy: -89.704157 where: bonds (distance) C4'-P energy: -21.370 bonds (distance) P-C4' energy: -23.157 flat angles C4'-P-C4' energy: -21.495 flat angles P-C4'-P energy: -13.950 tors. eta vs tors. theta energy: -9.732 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: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -232.664194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.664194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.664194 (E_RNA) where: Base-Base interactions energy: -143.625 where: short stacking energy: -72.992 Base-Backbone interact. energy: 0.122 local terms energy: -89.162148 where: bonds (distance) C4'-P energy: -18.140 bonds (distance) P-C4' energy: -18.058 flat angles C4'-P-C4' energy: -23.597 flat angles P-C4'-P energy: -14.899 tors. eta vs tors. theta energy: -14.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -239.781364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.781364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.781364 (E_RNA) where: Base-Base interactions energy: -146.135 where: short stacking energy: -67.674 Base-Backbone interact. energy: -0.298 local terms energy: -93.348466 where: bonds (distance) C4'-P energy: -21.786 bonds (distance) P-C4' energy: -24.871 flat angles C4'-P-C4' energy: -21.789 flat angles P-C4'-P energy: -12.027 tors. eta vs tors. theta energy: -12.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -115.760897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.760897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.760897 (E_RNA) where: Base-Base interactions energy: -45.802 where: short stacking energy: -33.040 Base-Backbone interact. energy: 0.599 local terms energy: -70.557614 where: bonds (distance) C4'-P energy: -18.898 bonds (distance) P-C4' energy: -16.911 flat angles C4'-P-C4' energy: -22.173 flat angles P-C4'-P energy: -14.263 tors. eta vs tors. theta energy: 1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -407.311718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.311718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.311718 (E_RNA) where: Base-Base interactions energy: -279.966 where: short stacking energy: -118.425 Base-Backbone interact. energy: -0.826 local terms energy: -126.519906 where: bonds (distance) C4'-P energy: -28.243 bonds (distance) P-C4' energy: -23.957 flat angles C4'-P-C4' energy: -24.881 flat angles P-C4'-P energy: -15.719 tors. eta vs tors. theta energy: -33.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -395.667739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.667739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.667739 (E_RNA) where: Base-Base interactions energy: -268.292 where: short stacking energy: -115.515 Base-Backbone interact. energy: -0.629 local terms energy: -126.746098 where: bonds (distance) C4'-P energy: -23.877 bonds (distance) P-C4' energy: -25.880 flat angles C4'-P-C4' energy: -26.503 flat angles P-C4'-P energy: -19.222 tors. eta vs tors. theta energy: -31.264 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: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -368.784413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.784413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.784413 (E_RNA) where: Base-Base interactions energy: -236.051 where: short stacking energy: -116.264 Base-Backbone interact. energy: 0.730 local terms energy: -133.462857 where: bonds (distance) C4'-P energy: -26.302 bonds (distance) P-C4' energy: -27.107 flat angles C4'-P-C4' energy: -25.554 flat angles P-C4'-P energy: -20.061 tors. eta vs tors. theta energy: -34.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -350.220757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.220757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.220757 (E_RNA) where: Base-Base interactions energy: -244.577 where: short stacking energy: -109.512 Base-Backbone interact. energy: -0.623 local terms energy: -105.020982 where: bonds (distance) C4'-P energy: -18.565 bonds (distance) P-C4' energy: -18.420 flat angles C4'-P-C4' energy: -25.487 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -30.991 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: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -366.234739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.234739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.234739 (E_RNA) where: Base-Base interactions energy: -257.735 where: short stacking energy: -110.254 Base-Backbone interact. energy: -0.674 local terms energy: -107.825901 where: bonds (distance) C4'-P energy: -23.668 bonds (distance) P-C4' energy: -20.288 flat angles C4'-P-C4' energy: -23.300 flat angles P-C4'-P energy: -12.899 tors. eta vs tors. theta energy: -27.671 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: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -291.913155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.913155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.913155 (E_RNA) where: Base-Base interactions energy: -185.971 where: short stacking energy: -81.590 Base-Backbone interact. energy: -0.097 local terms energy: -105.845153 where: bonds (distance) C4'-P energy: -18.730 bonds (distance) P-C4' energy: -18.634 flat angles C4'-P-C4' energy: -24.139 flat angles P-C4'-P energy: -19.368 tors. eta vs tors. theta energy: -24.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -244.880659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.880659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.880659 (E_RNA) where: Base-Base interactions energy: -145.331 where: short stacking energy: -64.433 Base-Backbone interact. energy: 0.156 local terms energy: -99.705387 where: bonds (distance) C4'-P energy: -23.490 bonds (distance) P-C4' energy: -24.785 flat angles C4'-P-C4' energy: -22.707 flat angles P-C4'-P energy: -10.786 tors. eta vs tors. theta energy: -17.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -228.573958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.573958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.573958 (E_RNA) where: Base-Base interactions energy: -147.133 where: short stacking energy: -69.865 Base-Backbone interact. energy: 0.102 local terms energy: -81.543481 where: bonds (distance) C4'-P energy: -19.026 bonds (distance) P-C4' energy: -16.880 flat angles C4'-P-C4' energy: -24.650 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -9.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -210.982504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.982504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.982504 (E_RNA) where: Base-Base interactions energy: -133.866 where: short stacking energy: -65.426 Base-Backbone interact. energy: -1.015 local terms energy: -76.102118 where: bonds (distance) C4'-P energy: -19.385 bonds (distance) P-C4' energy: -18.638 flat angles C4'-P-C4' energy: -20.576 flat angles P-C4'-P energy: -10.465 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: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -139.549619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.549619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.549619 (E_RNA) where: Base-Base interactions energy: -59.314 where: short stacking energy: -50.969 Base-Backbone interact. energy: -0.267 local terms energy: -79.968120 where: bonds (distance) C4'-P energy: -18.387 bonds (distance) P-C4' energy: -23.228 flat angles C4'-P-C4' energy: -21.898 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -7.715 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: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -408.406280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.406280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.406280 (E_RNA) where: Base-Base interactions energy: -282.335 where: short stacking energy: -118.865 Base-Backbone interact. energy: -0.721 local terms energy: -125.350029 where: bonds (distance) C4'-P energy: -20.418 bonds (distance) P-C4' energy: -27.764 flat angles C4'-P-C4' energy: -22.839 flat angles P-C4'-P energy: -20.304 tors. eta vs tors. theta energy: -34.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -375.253104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.253104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.253104 (E_RNA) where: Base-Base interactions energy: -249.326 where: short stacking energy: -120.399 Base-Backbone interact. energy: -0.003 local terms energy: -125.924519 where: bonds (distance) C4'-P energy: -24.009 bonds (distance) P-C4' energy: -21.597 flat angles C4'-P-C4' energy: -24.707 flat angles P-C4'-P energy: -20.723 tors. eta vs tors. theta energy: -34.889 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: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -391.968331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.968331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.968331 (E_RNA) where: Base-Base interactions energy: -269.479 where: short stacking energy: -119.700 Base-Backbone interact. energy: -0.356 local terms energy: -122.132520 where: bonds (distance) C4'-P energy: -23.093 bonds (distance) P-C4' energy: -23.935 flat angles C4'-P-C4' energy: -21.272 flat angles P-C4'-P energy: -18.209 tors. eta vs tors. theta energy: -35.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -362.557925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.557925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.557925 (E_RNA) where: Base-Base interactions energy: -244.281 where: short stacking energy: -101.714 Base-Backbone interact. energy: -0.608 local terms energy: -117.668538 where: bonds (distance) C4'-P energy: -26.919 bonds (distance) P-C4' energy: -21.746 flat angles C4'-P-C4' energy: -23.505 flat angles P-C4'-P energy: -18.018 tors. eta vs tors. theta energy: -27.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -345.239755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.239755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.239755 (E_RNA) where: Base-Base interactions energy: -238.118 where: short stacking energy: -98.098 Base-Backbone interact. energy: -0.311 local terms energy: -106.810543 where: bonds (distance) C4'-P energy: -20.129 bonds (distance) P-C4' energy: -24.292 flat angles C4'-P-C4' energy: -20.280 flat angles P-C4'-P energy: -17.048 tors. eta vs tors. theta energy: -25.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -297.179770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.179770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.179770 (E_RNA) where: Base-Base interactions energy: -195.295 where: short stacking energy: -88.091 Base-Backbone interact. energy: 0.251 local terms energy: -102.134955 where: bonds (distance) C4'-P energy: -19.840 bonds (distance) P-C4' energy: -20.475 flat angles C4'-P-C4' energy: -21.495 flat angles P-C4'-P energy: -13.826 tors. eta vs tors. theta energy: -26.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -252.849372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.849372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.849372 (E_RNA) where: Base-Base interactions energy: -161.277 where: short stacking energy: -77.154 Base-Backbone interact. energy: -0.021 local terms energy: -91.551108 where: bonds (distance) C4'-P energy: -24.227 bonds (distance) P-C4' energy: -17.796 flat angles C4'-P-C4' energy: -22.028 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -17.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -219.356081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.356081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.356081 (E_RNA) where: Base-Base interactions energy: -128.423 where: short stacking energy: -56.287 Base-Backbone interact. energy: -1.742 local terms energy: -89.191353 where: bonds (distance) C4'-P energy: -22.489 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -19.139 flat angles P-C4'-P energy: -18.095 tors. eta vs tors. theta energy: -12.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -219.709841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.709841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.709841 (E_RNA) where: Base-Base interactions energy: -138.296 where: short stacking energy: -62.299 Base-Backbone interact. energy: -1.615 local terms energy: -79.799107 where: bonds (distance) C4'-P energy: -23.681 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -20.085 flat angles P-C4'-P energy: -16.195 tors. eta vs tors. theta energy: -5.546 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: 329 Temperature: 1.350000 Total energy: -117.811018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.811018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.811018 (E_RNA) where: Base-Base interactions energy: -36.679 where: short stacking energy: -31.145 Base-Backbone interact. energy: -0.595 local terms energy: -80.537287 where: bonds (distance) C4'-P energy: -20.564 bonds (distance) P-C4' energy: -24.353 flat angles C4'-P-C4' energy: -19.134 flat angles P-C4'-P energy: -12.491 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -407.808143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.808143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.808143 (E_RNA) where: Base-Base interactions energy: -282.005 where: short stacking energy: -121.900 Base-Backbone interact. energy: -0.568 local terms energy: -125.235032 where: bonds (distance) C4'-P energy: -26.945 bonds (distance) P-C4' energy: -24.133 flat angles C4'-P-C4' energy: -21.946 flat angles P-C4'-P energy: -17.644 tors. eta vs tors. theta energy: -34.567 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: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -369.723320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.723320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.723320 (E_RNA) where: Base-Base interactions energy: -242.763 where: short stacking energy: -122.616 Base-Backbone interact. energy: -0.063 local terms energy: -126.897647 where: bonds (distance) C4'-P energy: -21.094 bonds (distance) P-C4' energy: -24.397 flat angles C4'-P-C4' energy: -25.739 flat angles P-C4'-P energy: -18.062 tors. eta vs tors. theta energy: -37.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -364.436534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.436534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.436534 (E_RNA) where: Base-Base interactions energy: -246.901 where: short stacking energy: -108.295 Base-Backbone interact. energy: -1.113 local terms energy: -116.422405 where: bonds (distance) C4'-P energy: -23.722 bonds (distance) P-C4' energy: -20.478 flat angles C4'-P-C4' energy: -24.385 flat angles P-C4'-P energy: -15.804 tors. eta vs tors. theta energy: -32.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -358.220750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.220750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.220750 (E_RNA) where: Base-Base interactions energy: -233.260 where: short stacking energy: -103.770 Base-Backbone interact. energy: 2.321 local terms energy: -127.281564 where: bonds (distance) C4'-P energy: -24.123 bonds (distance) P-C4' energy: -28.979 flat angles C4'-P-C4' energy: -23.184 flat angles P-C4'-P energy: -21.430 tors. eta vs tors. theta energy: -29.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -368.994371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.994371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.994371 (E_RNA) where: Base-Base interactions energy: -256.495 where: short stacking energy: -116.459 Base-Backbone interact. energy: -0.575 local terms energy: -111.923939 where: bonds (distance) C4'-P energy: -19.376 bonds (distance) P-C4' energy: -23.085 flat angles C4'-P-C4' energy: -23.472 flat angles P-C4'-P energy: -15.518 tors. eta vs tors. theta energy: -30.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -316.524801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.524801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.524801 (E_RNA) where: Base-Base interactions energy: -203.667 where: short stacking energy: -93.245 Base-Backbone interact. energy: 0.349 local terms energy: -113.206460 where: bonds (distance) C4'-P energy: -23.073 bonds (distance) P-C4' energy: -25.905 flat angles C4'-P-C4' energy: -25.258 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -26.827 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: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -218.296212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.296212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.296212 (E_RNA) where: Base-Base interactions energy: -127.726 where: short stacking energy: -64.921 Base-Backbone interact. energy: -0.362 local terms energy: -90.208377 where: bonds (distance) C4'-P energy: -20.975 bonds (distance) P-C4' energy: -25.680 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -15.227 tors. eta vs tors. theta energy: -12.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -237.280743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.280743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.280743 (E_RNA) where: Base-Base interactions energy: -147.824 where: short stacking energy: -72.428 Base-Backbone interact. energy: 1.593 local terms energy: -91.050068 where: bonds (distance) C4'-P energy: -19.972 bonds (distance) P-C4' energy: -16.741 flat angles C4'-P-C4' energy: -24.077 flat angles P-C4'-P energy: -15.084 tors. eta vs tors. theta energy: -15.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -226.758249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.758249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.758249 (E_RNA) where: Base-Base interactions energy: -144.633 where: short stacking energy: -64.472 Base-Backbone interact. energy: -1.490 local terms energy: -80.635013 where: bonds (distance) C4'-P energy: -15.452 bonds (distance) P-C4' energy: -17.899 flat angles C4'-P-C4' energy: -18.982 flat angles P-C4'-P energy: -14.553 tors. eta vs tors. theta energy: -13.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -131.024067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.024067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.024067 (E_RNA) where: Base-Base interactions energy: -50.090 where: short stacking energy: -50.090 Base-Backbone interact. energy: -0.338 local terms energy: -80.596154 where: bonds (distance) C4'-P energy: -16.001 bonds (distance) P-C4' energy: -18.020 flat angles C4'-P-C4' energy: -20.623 flat angles P-C4'-P energy: -8.077 tors. eta vs tors. theta energy: -17.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -420.468503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.468503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.468503 (E_RNA) where: Base-Base interactions energy: -293.320 where: short stacking energy: -128.890 Base-Backbone interact. energy: -0.101 local terms energy: -127.047650 where: bonds (distance) C4'-P energy: -24.228 bonds (distance) P-C4' energy: -21.249 flat angles C4'-P-C4' energy: -27.766 flat angles P-C4'-P energy: -17.689 tors. eta vs tors. theta energy: -36.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -399.092436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.092436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.092436 (E_RNA) where: Base-Base interactions energy: -268.363 where: short stacking energy: -119.993 Base-Backbone interact. energy: -0.867 local terms energy: -129.863053 where: bonds (distance) C4'-P energy: -25.947 bonds (distance) P-C4' energy: -24.539 flat angles C4'-P-C4' energy: -23.197 flat angles P-C4'-P energy: -17.613 tors. eta vs tors. theta energy: -38.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -357.215989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.215989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.215989 (E_RNA) where: Base-Base interactions energy: -236.785 where: short stacking energy: -122.228 Base-Backbone interact. energy: -0.416 local terms energy: -120.015225 where: bonds (distance) C4'-P energy: -16.358 bonds (distance) P-C4' energy: -26.066 flat angles C4'-P-C4' energy: -26.888 flat angles P-C4'-P energy: -16.801 tors. eta vs tors. theta energy: -33.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -395.056893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.056893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.056893 (E_RNA) where: Base-Base interactions energy: -271.035 where: short stacking energy: -118.006 Base-Backbone interact. energy: 0.012 local terms energy: -124.034079 where: bonds (distance) C4'-P energy: -27.516 bonds (distance) P-C4' energy: -27.340 flat angles C4'-P-C4' energy: -23.827 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -36.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -347.716125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.716125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.716125 (E_RNA) where: Base-Base interactions energy: -253.437 where: short stacking energy: -101.279 Base-Backbone interact. energy: -0.274 local terms energy: -94.005583 where: bonds (distance) C4'-P energy: -23.271 bonds (distance) P-C4' energy: -16.177 flat angles C4'-P-C4' energy: -18.570 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -27.750 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: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -280.588317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.588317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.588317 (E_RNA) where: Base-Base interactions energy: -182.142 where: short stacking energy: -81.005 Base-Backbone interact. energy: -0.239 local terms energy: -98.207733 where: bonds (distance) C4'-P energy: -16.434 bonds (distance) P-C4' energy: -18.626 flat angles C4'-P-C4' energy: -26.875 flat angles P-C4'-P energy: -15.126 tors. eta vs tors. theta energy: -21.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -232.376303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.376303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.376303 (E_RNA) where: Base-Base interactions energy: -153.287 where: short stacking energy: -68.790 Base-Backbone interact. energy: -0.725 local terms energy: -78.364317 where: bonds (distance) C4'-P energy: -17.200 bonds (distance) P-C4' energy: -14.931 flat angles C4'-P-C4' energy: -19.445 flat angles P-C4'-P energy: -18.017 tors. eta vs tors. theta energy: -8.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -235.321377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.321377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.321377 (E_RNA) where: Base-Base interactions energy: -149.804 where: short stacking energy: -70.605 Base-Backbone interact. energy: -0.274 local terms energy: -85.243040 where: bonds (distance) C4'-P energy: -14.867 bonds (distance) P-C4' energy: -23.147 flat angles C4'-P-C4' energy: -21.883 flat angles P-C4'-P energy: -11.668 tors. eta vs tors. theta energy: -13.678 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: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -239.049337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.049337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.049337 (E_RNA) where: Base-Base interactions energy: -154.215 where: short stacking energy: -72.823 Base-Backbone interact. energy: -0.604 local terms energy: -84.230118 where: bonds (distance) C4'-P energy: -20.573 bonds (distance) P-C4' energy: -15.000 flat angles C4'-P-C4' energy: -24.649 flat angles P-C4'-P energy: -15.706 tors. eta vs tors. theta energy: -8.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -129.472516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.472516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.472516 (E_RNA) where: Base-Base interactions energy: -51.461 where: short stacking energy: -33.504 Base-Backbone interact. energy: -0.400 local terms energy: -77.611630 where: bonds (distance) C4'-P energy: -20.442 bonds (distance) P-C4' energy: -23.140 flat angles C4'-P-C4' energy: -16.902 flat angles P-C4'-P energy: -12.852 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -417.352928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.352928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.352928 (E_RNA) where: Base-Base interactions energy: -287.372 where: short stacking energy: -125.601 Base-Backbone interact. energy: -0.332 local terms energy: -129.649701 where: bonds (distance) C4'-P energy: -26.318 bonds (distance) P-C4' energy: -24.610 flat angles C4'-P-C4' energy: -22.599 flat angles P-C4'-P energy: -18.950 tors. eta vs tors. theta energy: -37.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -395.737608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.737608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.737608 (E_RNA) where: Base-Base interactions energy: -264.503 where: short stacking energy: -116.938 Base-Backbone interact. energy: -0.598 local terms energy: -130.636756 where: bonds (distance) C4'-P energy: -26.717 bonds (distance) P-C4' energy: -21.241 flat angles C4'-P-C4' energy: -27.991 flat angles P-C4'-P energy: -17.527 tors. eta vs tors. theta energy: -37.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -391.777805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.777805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.777805 (E_RNA) where: Base-Base interactions energy: -263.740 where: short stacking energy: -121.406 Base-Backbone interact. energy: -0.013 local terms energy: -128.024922 where: bonds (distance) C4'-P energy: -25.836 bonds (distance) P-C4' energy: -24.818 flat angles C4'-P-C4' energy: -27.097 flat angles P-C4'-P energy: -16.897 tors. eta vs tors. theta energy: -33.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -364.833312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.833312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.833312 (E_RNA) where: Base-Base interactions energy: -245.399 where: short stacking energy: -128.812 Base-Backbone interact. energy: -0.008 local terms energy: -119.426394 where: bonds (distance) C4'-P energy: -19.260 bonds (distance) P-C4' energy: -23.440 flat angles C4'-P-C4' energy: -23.753 flat angles P-C4'-P energy: -14.895 tors. eta vs tors. theta energy: -38.078 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: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -366.629578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.629578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.629578 (E_RNA) where: Base-Base interactions energy: -244.537 where: short stacking energy: -116.505 Base-Backbone interact. energy: -1.453 local terms energy: -120.639532 where: bonds (distance) C4'-P energy: -22.087 bonds (distance) P-C4' energy: -23.831 flat angles C4'-P-C4' energy: -23.762 flat angles P-C4'-P energy: -16.761 tors. eta vs tors. theta energy: -34.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -280.608006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.608006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.608006 (E_RNA) where: Base-Base interactions energy: -185.427 where: short stacking energy: -89.610 Base-Backbone interact. energy: 0.959 local terms energy: -96.139871 where: bonds (distance) C4'-P energy: -21.203 bonds (distance) P-C4' energy: -24.202 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -14.970 tors. eta vs tors. theta energy: -22.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -248.225888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.225888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.225888 (E_RNA) where: Base-Base interactions energy: -147.708 where: short stacking energy: -72.769 Base-Backbone interact. energy: -0.511 local terms energy: -100.006511 where: bonds (distance) C4'-P energy: -21.824 bonds (distance) P-C4' energy: -24.407 flat angles C4'-P-C4' energy: -18.536 flat angles P-C4'-P energy: -15.721 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -245.489792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.489792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.489792 (E_RNA) where: Base-Base interactions energy: -154.107 where: short stacking energy: -77.995 Base-Backbone interact. energy: -0.570 local terms energy: -90.812666 where: bonds (distance) C4'-P energy: -21.960 bonds (distance) P-C4' energy: -24.746 flat angles C4'-P-C4' energy: -16.606 flat angles P-C4'-P energy: -12.234 tors. eta vs tors. theta energy: -15.268 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: 9, replica: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -219.787113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.787113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.787113 (E_RNA) where: Base-Base interactions energy: -134.173 where: short stacking energy: -59.008 Base-Backbone interact. energy: -0.020 local terms energy: -85.593917 where: bonds (distance) C4'-P energy: -19.304 bonds (distance) P-C4' energy: -25.267 flat angles C4'-P-C4' energy: -17.984 flat angles P-C4'-P energy: -17.981 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: 332 Temperature: 1.350000 Total energy: -122.302865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.302865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.302865 (E_RNA) where: Base-Base interactions energy: -41.922 where: short stacking energy: -39.604 Base-Backbone interact. energy: -0.381 local terms energy: -79.999654 where: bonds (distance) C4'-P energy: -24.457 bonds (distance) P-C4' energy: -16.161 flat angles C4'-P-C4' energy: -20.487 flat angles P-C4'-P energy: -12.727 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: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -407.563458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.563458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.563458 (E_RNA) where: Base-Base interactions energy: -268.235 where: short stacking energy: -115.685 Base-Backbone interact. energy: -1.461 local terms energy: -137.867239 where: bonds (distance) C4'-P energy: -27.768 bonds (distance) P-C4' energy: -27.390 flat angles C4'-P-C4' energy: -30.114 flat angles P-C4'-P energy: -19.216 tors. eta vs tors. theta energy: -33.379 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: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -407.905794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.905794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.905794 (E_RNA) where: Base-Base interactions energy: -271.400 where: short stacking energy: -113.103 Base-Backbone interact. energy: -0.099 local terms energy: -136.406165 where: bonds (distance) C4'-P energy: -26.828 bonds (distance) P-C4' energy: -23.583 flat angles C4'-P-C4' energy: -26.639 flat angles P-C4'-P energy: -22.696 tors. eta vs tors. theta energy: -36.659 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: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -378.045121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.045121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.045121 (E_RNA) where: Base-Base interactions energy: -263.271 where: short stacking energy: -114.038 Base-Backbone interact. energy: -0.639 local terms energy: -114.134868 where: bonds (distance) C4'-P energy: -22.832 bonds (distance) P-C4' energy: -23.669 flat angles C4'-P-C4' energy: -20.550 flat angles P-C4'-P energy: -13.511 tors. eta vs tors. theta energy: -33.573 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: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -362.405043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.405043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.405043 (E_RNA) where: Base-Base interactions energy: -229.128 where: short stacking energy: -106.862 Base-Backbone interact. energy: -0.239 local terms energy: -133.038069 where: bonds (distance) C4'-P energy: -28.741 bonds (distance) P-C4' energy: -26.293 flat angles C4'-P-C4' energy: -24.646 flat angles P-C4'-P energy: -19.355 tors. eta vs tors. theta energy: -34.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -359.418030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.418030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.418030 (E_RNA) where: Base-Base interactions energy: -238.113 where: short stacking energy: -107.839 Base-Backbone interact. energy: 0.882 local terms energy: -122.186162 where: bonds (distance) C4'-P energy: -22.329 bonds (distance) P-C4' energy: -25.480 flat angles C4'-P-C4' energy: -26.379 flat angles P-C4'-P energy: -15.284 tors. eta vs tors. theta energy: -32.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -305.172300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.172300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.172300 (E_RNA) where: Base-Base interactions energy: -212.064 where: short stacking energy: -102.802 Base-Backbone interact. energy: -0.007 local terms energy: -93.100676 where: bonds (distance) C4'-P energy: -20.621 bonds (distance) P-C4' energy: -16.931 flat angles C4'-P-C4' energy: -19.376 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -26.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -262.216406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.216406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.216406 (E_RNA) where: Base-Base interactions energy: -164.369 where: short stacking energy: -86.709 Base-Backbone interact. energy: 0.591 local terms energy: -98.439020 where: bonds (distance) C4'-P energy: -17.668 bonds (distance) P-C4' energy: -19.641 flat angles C4'-P-C4' energy: -23.384 flat angles P-C4'-P energy: -16.128 tors. eta vs tors. theta energy: -21.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -257.158200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.158200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.158200 (E_RNA) where: Base-Base interactions energy: -154.064 where: short stacking energy: -84.082 Base-Backbone interact. energy: -0.903 local terms energy: -102.191497 where: bonds (distance) C4'-P energy: -17.264 bonds (distance) P-C4' energy: -22.868 flat angles C4'-P-C4' energy: -22.211 flat angles P-C4'-P energy: -18.611 tors. eta vs tors. theta energy: -21.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -180.009921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.009921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.009921 (E_RNA) where: Base-Base interactions energy: -92.747 where: short stacking energy: -47.036 Base-Backbone interact. energy: -0.248 local terms energy: -87.014521 where: bonds (distance) C4'-P energy: -26.860 bonds (distance) P-C4' energy: -26.176 flat angles C4'-P-C4' energy: -21.787 flat angles P-C4'-P energy: -7.836 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -118.337693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.337693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.337693 (E_RNA) where: Base-Base interactions energy: -39.865 where: short stacking energy: -34.484 Base-Backbone interact. energy: -0.771 local terms energy: -77.701411 where: bonds (distance) C4'-P energy: -22.344 bonds (distance) P-C4' energy: -26.060 flat angles C4'-P-C4' energy: -21.391 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: 3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -407.723390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.723390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.723390 (E_RNA) where: Base-Base interactions energy: -272.800 where: short stacking energy: -118.488 Base-Backbone interact. energy: -0.784 local terms energy: -134.139687 where: bonds (distance) C4'-P energy: -26.322 bonds (distance) P-C4' energy: -23.409 flat angles C4'-P-C4' energy: -28.012 flat angles P-C4'-P energy: -18.096 tors. eta vs tors. theta energy: -38.300 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: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -406.993951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.993951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.993951 (E_RNA) where: Base-Base interactions energy: -285.643 where: short stacking energy: -112.034 Base-Backbone interact. energy: 0.151 local terms energy: -121.501759 where: bonds (distance) C4'-P energy: -23.272 bonds (distance) P-C4' energy: -25.130 flat angles C4'-P-C4' energy: -25.620 flat angles P-C4'-P energy: -13.400 tors. eta vs tors. theta energy: -34.080 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: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -363.172606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.172606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.172606 (E_RNA) where: Base-Base interactions energy: -242.390 where: short stacking energy: -117.174 Base-Backbone interact. energy: -1.475 local terms energy: -119.307490 where: bonds (distance) C4'-P energy: -20.610 bonds (distance) P-C4' energy: -25.902 flat angles C4'-P-C4' energy: -25.756 flat angles P-C4'-P energy: -16.642 tors. eta vs tors. theta energy: -30.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -353.559441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.559441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.559441 (E_RNA) where: Base-Base interactions energy: -236.084 where: short stacking energy: -112.464 Base-Backbone interact. energy: -0.394 local terms energy: -117.081437 where: bonds (distance) C4'-P energy: -18.456 bonds (distance) P-C4' energy: -22.432 flat angles C4'-P-C4' energy: -26.357 flat angles P-C4'-P energy: -15.718 tors. eta vs tors. theta energy: -34.119 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: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -337.555511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.555511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.555511 (E_RNA) where: Base-Base interactions energy: -222.639 where: short stacking energy: -101.955 Base-Backbone interact. energy: -0.082 local terms energy: -114.834425 where: bonds (distance) C4'-P energy: -19.487 bonds (distance) P-C4' energy: -23.192 flat angles C4'-P-C4' energy: -23.653 flat angles P-C4'-P energy: -17.191 tors. eta vs tors. theta energy: -31.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -320.640424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.640424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.640424 (E_RNA) where: Base-Base interactions energy: -202.171 where: short stacking energy: -97.912 Base-Backbone interact. energy: -1.356 local terms energy: -117.113826 where: bonds (distance) C4'-P energy: -25.510 bonds (distance) P-C4' energy: -23.589 flat angles C4'-P-C4' energy: -26.350 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -31.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -264.247961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.247961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.247961 (E_RNA) where: Base-Base interactions energy: -162.433 where: short stacking energy: -84.939 Base-Backbone interact. energy: -0.719 local terms energy: -101.096085 where: bonds (distance) C4'-P energy: -17.326 bonds (distance) P-C4' energy: -24.776 flat angles C4'-P-C4' energy: -21.632 flat angles P-C4'-P energy: -18.802 tors. eta vs tors. theta energy: -18.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -239.835574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.835574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.835574 (E_RNA) where: Base-Base interactions energy: -144.324 where: short stacking energy: -72.992 Base-Backbone interact. energy: -1.668 local terms energy: -93.843183 where: bonds (distance) C4'-P energy: -25.954 bonds (distance) P-C4' energy: -23.706 flat angles C4'-P-C4' energy: -16.075 flat angles P-C4'-P energy: -14.334 tors. eta vs tors. theta energy: -13.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -176.779779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.779779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.779779 (E_RNA) where: Base-Base interactions energy: -98.063 where: short stacking energy: -55.075 Base-Backbone interact. energy: -0.114 local terms energy: -78.602762 where: bonds (distance) C4'-P energy: -25.536 bonds (distance) P-C4' energy: -23.573 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -12.957 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -111.376017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.376017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.376017 (E_RNA) where: Base-Base interactions energy: -41.140 where: short stacking energy: -38.293 Base-Backbone interact. energy: -0.464 local terms energy: -69.771832 where: bonds (distance) C4'-P energy: -19.747 bonds (distance) P-C4' energy: -24.867 flat angles C4'-P-C4' energy: -20.157 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: 3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -411.199702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.199702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.199702 (E_RNA) where: Base-Base interactions energy: -279.596 where: short stacking energy: -127.817 Base-Backbone interact. energy: -0.169 local terms energy: -131.435144 where: bonds (distance) C4'-P energy: -23.236 bonds (distance) P-C4' energy: -25.905 flat angles C4'-P-C4' energy: -20.368 flat angles P-C4'-P energy: -21.139 tors. eta vs tors. theta energy: -40.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -382.021253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.021253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.021253 (E_RNA) where: Base-Base interactions energy: -263.900 where: short stacking energy: -122.631 Base-Backbone interact. energy: -0.029 local terms energy: -118.091678 where: bonds (distance) C4'-P energy: -25.636 bonds (distance) P-C4' energy: -21.132 flat angles C4'-P-C4' energy: -26.736 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -35.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -408.482516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.482516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.482516 (E_RNA) where: Base-Base interactions energy: -290.855 where: short stacking energy: -123.835 Base-Backbone interact. energy: 0.580 local terms energy: -118.207104 where: bonds (distance) C4'-P energy: -20.475 bonds (distance) P-C4' energy: -22.874 flat angles C4'-P-C4' energy: -24.631 flat angles P-C4'-P energy: -18.230 tors. eta vs tors. theta energy: -31.997 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: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -354.821502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.821502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.821502 (E_RNA) where: Base-Base interactions energy: -248.109 where: short stacking energy: -97.633 Base-Backbone interact. energy: -0.151 local terms energy: -106.561513 where: bonds (distance) C4'-P energy: -18.454 bonds (distance) P-C4' energy: -20.303 flat angles C4'-P-C4' energy: -24.356 flat angles P-C4'-P energy: -20.334 tors. eta vs tors. theta energy: -23.115 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: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -346.626135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.626135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.626135 (E_RNA) where: Base-Base interactions energy: -236.446 where: short stacking energy: -115.613 Base-Backbone interact. energy: 0.240 local terms energy: -110.419949 where: bonds (distance) C4'-P energy: -18.175 bonds (distance) P-C4' energy: -21.065 flat angles C4'-P-C4' energy: -24.620 flat angles P-C4'-P energy: -16.268 tors. eta vs tors. theta energy: -30.292 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: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -308.708420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.708420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.708420 (E_RNA) where: Base-Base interactions energy: -209.958 where: short stacking energy: -94.916 Base-Backbone interact. energy: 0.035 local terms energy: -98.784910 where: bonds (distance) C4'-P energy: -23.269 bonds (distance) P-C4' energy: -20.347 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -15.932 tors. eta vs tors. theta energy: -25.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -256.522530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.522530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.522530 (E_RNA) where: Base-Base interactions energy: -162.942 where: short stacking energy: -80.346 Base-Backbone interact. energy: -0.064 local terms energy: -93.515896 where: bonds (distance) C4'-P energy: -20.022 bonds (distance) P-C4' energy: -21.459 flat angles C4'-P-C4' energy: -22.206 flat angles P-C4'-P energy: -13.871 tors. eta vs tors. theta energy: -15.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -223.882151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.882151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.882151 (E_RNA) where: Base-Base interactions energy: -144.813 where: short stacking energy: -65.032 Base-Backbone interact. energy: 0.687 local terms energy: -79.755798 where: bonds (distance) C4'-P energy: -17.942 bonds (distance) P-C4' energy: -26.012 flat angles C4'-P-C4' energy: -22.036 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -8.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -195.401526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.401526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.401526 (E_RNA) where: Base-Base interactions energy: -126.366 where: short stacking energy: -48.961 Base-Backbone interact. energy: -1.603 local terms energy: -67.432856 where: bonds (distance) C4'-P energy: -17.789 bonds (distance) P-C4' energy: -21.133 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -18.564 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -113.247587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.247587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.247587 (E_RNA) where: Base-Base interactions energy: -44.213 where: short stacking energy: -29.432 Base-Backbone interact. energy: -0.412 local terms energy: -68.622440 where: bonds (distance) C4'-P energy: -20.165 bonds (distance) P-C4' energy: -20.673 flat angles C4'-P-C4' energy: -18.017 flat angles P-C4'-P energy: -12.070 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: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -401.226175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.226175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.226175 (E_RNA) where: Base-Base interactions energy: -277.339 where: short stacking energy: -116.425 Base-Backbone interact. energy: -0.275 local terms energy: -123.612122 where: bonds (distance) C4'-P energy: -26.195 bonds (distance) P-C4' energy: -26.239 flat angles C4'-P-C4' energy: -24.841 flat angles P-C4'-P energy: -13.914 tors. eta vs tors. theta energy: -32.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -405.347603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.347603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.347603 (E_RNA) where: Base-Base interactions energy: -279.348 where: short stacking energy: -121.961 Base-Backbone interact. energy: -0.982 local terms energy: -125.017349 where: bonds (distance) C4'-P energy: -22.296 bonds (distance) P-C4' energy: -19.058 flat angles C4'-P-C4' energy: -26.474 flat angles P-C4'-P energy: -19.867 tors. eta vs tors. theta energy: -37.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -384.669757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.669757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.669757 (E_RNA) where: Base-Base interactions energy: -266.469 where: short stacking energy: -110.345 Base-Backbone interact. energy: 1.034 local terms energy: -119.234575 where: bonds (distance) C4'-P energy: -22.705 bonds (distance) P-C4' energy: -24.742 flat angles C4'-P-C4' energy: -23.489 flat angles P-C4'-P energy: -16.165 tors. eta vs tors. theta energy: -32.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -355.925253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.925253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.925253 (E_RNA) where: Base-Base interactions energy: -246.747 where: short stacking energy: -107.567 Base-Backbone interact. energy: -0.096 local terms energy: -109.082043 where: bonds (distance) C4'-P energy: -23.143 bonds (distance) P-C4' energy: -19.572 flat angles C4'-P-C4' energy: -17.472 flat angles P-C4'-P energy: -19.255 tors. eta vs tors. theta energy: -29.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -352.738841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.738841 (E_RNA) where: Base-Base interactions energy: -233.534 where: short stacking energy: -110.692 Base-Backbone interact. energy: 1.730 local terms energy: -120.934700 where: bonds (distance) C4'-P energy: -28.094 bonds (distance) P-C4' energy: -19.101 flat angles C4'-P-C4' energy: -22.445 flat angles P-C4'-P energy: -19.366 tors. eta vs tors. theta energy: -31.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -318.781055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.781055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.781055 (E_RNA) where: Base-Base interactions energy: -200.827 where: short stacking energy: -105.740 Base-Backbone interact. energy: -0.131 local terms energy: -117.823850 where: bonds (distance) C4'-P energy: -22.832 bonds (distance) P-C4' energy: -26.420 flat angles C4'-P-C4' energy: -23.495 flat angles P-C4'-P energy: -14.981 tors. eta vs tors. theta energy: -30.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -238.055325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.055325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.055325 (E_RNA) where: Base-Base interactions energy: -146.867 where: short stacking energy: -83.903 Base-Backbone interact. energy: -0.157 local terms energy: -91.031826 where: bonds (distance) C4'-P energy: -18.137 bonds (distance) P-C4' energy: -18.226 flat angles C4'-P-C4' energy: -22.972 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: -20.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -227.491866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.491866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.491866 (E_RNA) where: Base-Base interactions energy: -141.838 where: short stacking energy: -73.867 Base-Backbone interact. energy: 0.225 local terms energy: -85.878898 where: bonds (distance) C4'-P energy: -15.850 bonds (distance) P-C4' energy: -20.807 flat angles C4'-P-C4' energy: -18.740 flat angles P-C4'-P energy: -13.406 tors. eta vs tors. theta energy: -17.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -198.241037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.241037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.241037 (E_RNA) where: Base-Base interactions energy: -113.005 where: short stacking energy: -52.117 Base-Backbone interact. energy: 8.260 local terms energy: -93.496303 where: bonds (distance) C4'-P energy: -24.150 bonds (distance) P-C4' energy: -23.238 flat angles C4'-P-C4' energy: -23.481 flat angles P-C4'-P energy: -17.788 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: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -143.270462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.270462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.270462 (E_RNA) where: Base-Base interactions energy: -65.335 where: short stacking energy: -31.344 Base-Backbone interact. energy: 0.110 local terms energy: -78.044981 where: bonds (distance) C4'-P energy: -22.480 bonds (distance) P-C4' energy: -20.186 flat angles C4'-P-C4' energy: -23.130 flat angles P-C4'-P energy: -15.449 tors. eta vs tors. theta energy: 3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -417.544465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.544465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.544465 (E_RNA) where: Base-Base interactions energy: -300.842 where: short stacking energy: -124.037 Base-Backbone interact. energy: 0.150 local terms energy: -116.852971 where: bonds (distance) C4'-P energy: -18.449 bonds (distance) P-C4' energy: -19.888 flat angles C4'-P-C4' energy: -22.696 flat angles P-C4'-P energy: -15.922 tors. eta vs tors. theta energy: -39.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -396.345597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.345597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.345597 (E_RNA) where: Base-Base interactions energy: -274.807 where: short stacking energy: -108.382 Base-Backbone interact. energy: -0.378 local terms energy: -121.160515 where: bonds (distance) C4'-P energy: -21.349 bonds (distance) P-C4' energy: -23.559 flat angles C4'-P-C4' energy: -22.536 flat angles P-C4'-P energy: -18.412 tors. eta vs tors. theta energy: -35.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -366.769695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.769695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.769695 (E_RNA) where: Base-Base interactions energy: -248.831 where: short stacking energy: -103.877 Base-Backbone interact. energy: -1.012 local terms energy: -116.926455 where: bonds (distance) C4'-P energy: -19.693 bonds (distance) P-C4' energy: -21.611 flat angles C4'-P-C4' energy: -27.431 flat angles P-C4'-P energy: -16.539 tors. eta vs tors. theta energy: -31.652 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: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -367.055495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.055495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.055495 (E_RNA) where: Base-Base interactions energy: -238.417 where: short stacking energy: -119.024 Base-Backbone interact. energy: -0.004 local terms energy: -128.635355 where: bonds (distance) C4'-P energy: -21.701 bonds (distance) P-C4' energy: -20.482 flat angles C4'-P-C4' energy: -27.812 flat angles P-C4'-P energy: -20.388 tors. eta vs tors. theta energy: -38.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -369.650092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.650092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.650092 (E_RNA) where: Base-Base interactions energy: -254.507 where: short stacking energy: -112.378 Base-Backbone interact. energy: -0.814 local terms energy: -114.329315 where: bonds (distance) C4'-P energy: -19.584 bonds (distance) P-C4' energy: -23.592 flat angles C4'-P-C4' energy: -21.215 flat angles P-C4'-P energy: -12.798 tors. eta vs tors. theta energy: -37.141 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: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -295.115967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.115967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.115967 (E_RNA) where: Base-Base interactions energy: -188.770 where: short stacking energy: -90.059 Base-Backbone interact. energy: -0.080 local terms energy: -106.265930 where: bonds (distance) C4'-P energy: -20.435 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -24.333 flat angles P-C4'-P energy: -17.748 tors. eta vs tors. theta energy: -28.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -251.413578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.413578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.413578 (E_RNA) where: Base-Base interactions energy: -153.041 where: short stacking energy: -68.612 Base-Backbone interact. energy: 1.068 local terms energy: -99.440933 where: bonds (distance) C4'-P energy: -25.448 bonds (distance) P-C4' energy: -23.987 flat angles C4'-P-C4' energy: -20.799 flat angles P-C4'-P energy: -11.579 tors. eta vs tors. theta energy: -17.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -242.162399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.162399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.162399 (E_RNA) where: Base-Base interactions energy: -147.076 where: short stacking energy: -70.562 Base-Backbone interact. energy: -0.584 local terms energy: -94.501714 where: bonds (distance) C4'-P energy: -22.645 bonds (distance) P-C4' energy: -23.647 flat angles C4'-P-C4' energy: -24.682 flat angles P-C4'-P energy: -19.854 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: 6 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -187.529094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.529094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.529094 (E_RNA) where: Base-Base interactions energy: -96.219 where: short stacking energy: -47.496 Base-Backbone interact. energy: -0.084 local terms energy: -91.226223 where: bonds (distance) C4'-P energy: -22.984 bonds (distance) P-C4' energy: -22.556 flat angles C4'-P-C4' energy: -15.727 flat angles P-C4'-P energy: -16.805 tors. eta vs tors. theta energy: -13.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -137.664901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.664901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.664901 (E_RNA) where: Base-Base interactions energy: -70.534 where: short stacking energy: -43.244 Base-Backbone interact. energy: 2.924 local terms energy: -70.054980 where: bonds (distance) C4'-P energy: -26.895 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -18.376 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -387.574384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.574384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.574384 (E_RNA) where: Base-Base interactions energy: -269.765 where: short stacking energy: -106.948 Base-Backbone interact. energy: -0.965 local terms energy: -116.844232 where: bonds (distance) C4'-P energy: -18.239 bonds (distance) P-C4' energy: -23.112 flat angles C4'-P-C4' energy: -27.949 flat angles P-C4'-P energy: -16.372 tors. eta vs tors. theta energy: -31.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -408.640905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.640905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.640905 (E_RNA) where: Base-Base interactions energy: -283.585 where: short stacking energy: -105.987 Base-Backbone interact. energy: -0.367 local terms energy: -124.689635 where: bonds (distance) C4'-P energy: -26.895 bonds (distance) P-C4' energy: -23.861 flat angles C4'-P-C4' energy: -24.949 flat angles P-C4'-P energy: -17.459 tors. eta vs tors. theta energy: -31.526 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: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -363.026367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.026367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.026367 (E_RNA) where: Base-Base interactions energy: -259.984 where: short stacking energy: -111.532 Base-Backbone interact. energy: -0.580 local terms energy: -102.461983 where: bonds (distance) C4'-P energy: -20.759 bonds (distance) P-C4' energy: -20.368 flat angles C4'-P-C4' energy: -18.258 flat angles P-C4'-P energy: -17.633 tors. eta vs tors. theta energy: -25.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -353.973780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.973780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.973780 (E_RNA) where: Base-Base interactions energy: -235.009 where: short stacking energy: -116.901 Base-Backbone interact. energy: -0.095 local terms energy: -118.870001 where: bonds (distance) C4'-P energy: -24.515 bonds (distance) P-C4' energy: -21.477 flat angles C4'-P-C4' energy: -24.097 flat angles P-C4'-P energy: -13.016 tors. eta vs tors. theta energy: -35.765 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: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -361.272882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.272882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.272882 (E_RNA) where: Base-Base interactions energy: -247.327 where: short stacking energy: -107.203 Base-Backbone interact. energy: 5.633 local terms energy: -119.578891 where: bonds (distance) C4'-P energy: -23.292 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -27.739 flat angles P-C4'-P energy: -21.266 tors. eta vs tors. theta energy: -34.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -297.023742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.023742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.023742 (E_RNA) where: Base-Base interactions energy: -189.346 where: short stacking energy: -92.231 Base-Backbone interact. energy: -0.178 local terms energy: -107.499163 where: bonds (distance) C4'-P energy: -25.179 bonds (distance) P-C4' energy: -25.645 flat angles C4'-P-C4' energy: -19.200 flat angles P-C4'-P energy: -13.832 tors. eta vs tors. theta energy: -23.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -234.657727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.657727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.657727 (E_RNA) where: Base-Base interactions energy: -148.294 where: short stacking energy: -81.173 Base-Backbone interact. energy: -0.904 local terms energy: -85.459429 where: bonds (distance) C4'-P energy: -22.790 bonds (distance) P-C4' energy: -25.095 flat angles C4'-P-C4' energy: -17.157 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -12.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -227.574046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.574046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.574046 (E_RNA) where: Base-Base interactions energy: -138.908 where: short stacking energy: -69.396 Base-Backbone interact. energy: -0.287 local terms energy: -88.378545 where: bonds (distance) C4'-P energy: -20.600 bonds (distance) P-C4' energy: -19.524 flat angles C4'-P-C4' energy: -19.915 flat angles P-C4'-P energy: -15.881 tors. eta vs tors. theta energy: -12.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -192.040643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.040643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.040643 (E_RNA) where: Base-Base interactions energy: -111.829 where: short stacking energy: -59.639 Base-Backbone interact. energy: 2.028 local terms energy: -82.239055 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -19.397 flat angles C4'-P-C4' energy: -20.338 flat angles P-C4'-P energy: -15.867 tors. eta vs tors. theta energy: -13.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -128.290434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.290434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.290434 (E_RNA) where: Base-Base interactions energy: -57.312 where: short stacking energy: -37.741 Base-Backbone interact. energy: -0.677 local terms energy: -70.301885 where: bonds (distance) C4'-P energy: -19.851 bonds (distance) P-C4' energy: -22.686 flat angles C4'-P-C4' energy: -18.255 flat angles P-C4'-P energy: -9.887 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: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -393.169119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.169119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.169119 (E_RNA) where: Base-Base interactions energy: -264.068 where: short stacking energy: -128.936 Base-Backbone interact. energy: -1.058 local terms energy: -128.043615 where: bonds (distance) C4'-P energy: -21.262 bonds (distance) P-C4' energy: -23.565 flat angles C4'-P-C4' energy: -26.471 flat angles P-C4'-P energy: -20.283 tors. eta vs tors. theta energy: -36.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -405.690250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.690250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.690250 (E_RNA) where: Base-Base interactions energy: -284.547 where: short stacking energy: -110.390 Base-Backbone interact. energy: -0.258 local terms energy: -120.884776 where: bonds (distance) C4'-P energy: -20.628 bonds (distance) P-C4' energy: -26.079 flat angles C4'-P-C4' energy: -22.082 flat angles P-C4'-P energy: -22.517 tors. eta vs tors. theta energy: -29.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -345.523717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.523717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.523717 (E_RNA) where: Base-Base interactions energy: -227.029 where: short stacking energy: -107.147 Base-Backbone interact. energy: -0.361 local terms energy: -118.133766 where: bonds (distance) C4'-P energy: -24.534 bonds (distance) P-C4' energy: -22.905 flat angles C4'-P-C4' energy: -24.855 flat angles P-C4'-P energy: -18.672 tors. eta vs tors. theta energy: -27.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -373.776642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.776642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.776642 (E_RNA) where: Base-Base interactions energy: -255.245 where: short stacking energy: -107.944 Base-Backbone interact. energy: -0.732 local terms energy: -117.799675 where: bonds (distance) C4'-P energy: -24.485 bonds (distance) P-C4' energy: -21.101 flat angles C4'-P-C4' energy: -25.481 flat angles P-C4'-P energy: -14.485 tors. eta vs tors. theta energy: -32.248 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: 5, replica: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -336.646532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.646532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.646532 (E_RNA) where: Base-Base interactions energy: -217.453 where: short stacking energy: -98.464 Base-Backbone interact. energy: -0.561 local terms energy: -118.632259 where: bonds (distance) C4'-P energy: -21.665 bonds (distance) P-C4' energy: -26.719 flat angles C4'-P-C4' energy: -27.502 flat angles P-C4'-P energy: -12.986 tors. eta vs tors. theta energy: -29.761 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: 339 Temperature: 1.150000 Total energy: -303.554207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.554207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.554207 (E_RNA) where: Base-Base interactions energy: -187.670 where: short stacking energy: -77.713 Base-Backbone interact. energy: -0.363 local terms energy: -115.521941 where: bonds (distance) C4'-P energy: -22.200 bonds (distance) P-C4' energy: -23.977 flat angles C4'-P-C4' energy: -24.774 flat angles P-C4'-P energy: -23.169 tors. eta vs tors. theta energy: -21.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -244.602354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.602354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.602354 (E_RNA) where: Base-Base interactions energy: -160.363 where: short stacking energy: -82.222 Base-Backbone interact. energy: -0.147 local terms energy: -84.092564 where: bonds (distance) C4'-P energy: -21.622 bonds (distance) P-C4' energy: -16.624 flat angles C4'-P-C4' energy: -23.195 flat angles P-C4'-P energy: -12.845 tors. eta vs tors. theta energy: -9.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -209.233480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.233480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.233480 (E_RNA) where: Base-Base interactions energy: -140.447 where: short stacking energy: -56.116 Base-Backbone interact. energy: 2.510 local terms energy: -71.296629 where: bonds (distance) C4'-P energy: -16.129 bonds (distance) P-C4' energy: -21.708 flat angles C4'-P-C4' energy: -18.911 flat angles P-C4'-P energy: -7.460 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: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -231.891832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.891832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.891832 (E_RNA) where: Base-Base interactions energy: -146.504 where: short stacking energy: -72.877 Base-Backbone interact. energy: -0.419 local terms energy: -84.968533 where: bonds (distance) C4'-P energy: -23.075 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -16.458 flat angles P-C4'-P energy: -15.026 tors. eta vs tors. theta energy: -15.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -112.342286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.342286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.342286 (E_RNA) where: Base-Base interactions energy: -38.457 where: short stacking energy: -25.197 Base-Backbone interact. energy: -0.217 local terms energy: -73.667922 where: bonds (distance) C4'-P energy: -25.547 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -26.189 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: 0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -432.012600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.012600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.012600 (E_RNA) where: Base-Base interactions energy: -308.401 where: short stacking energy: -127.698 Base-Backbone interact. energy: -0.182 local terms energy: -123.429566 where: bonds (distance) C4'-P energy: -23.973 bonds (distance) P-C4' energy: -26.085 flat angles C4'-P-C4' energy: -23.621 flat angles P-C4'-P energy: -13.217 tors. eta vs tors. theta energy: -36.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -371.010291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.010291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.010291 (E_RNA) where: Base-Base interactions energy: -252.185 where: short stacking energy: -110.489 Base-Backbone interact. energy: -2.063 local terms energy: -116.762818 where: bonds (distance) C4'-P energy: -19.639 bonds (distance) P-C4' energy: -24.764 flat angles C4'-P-C4' energy: -19.380 flat angles P-C4'-P energy: -18.851 tors. eta vs tors. theta energy: -34.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -394.827974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.827974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.827974 (E_RNA) where: Base-Base interactions energy: -265.559 where: short stacking energy: -111.300 Base-Backbone interact. energy: -0.159 local terms energy: -129.110653 where: bonds (distance) C4'-P energy: -24.579 bonds (distance) P-C4' energy: -27.617 flat angles C4'-P-C4' energy: -27.077 flat angles P-C4'-P energy: -16.387 tors. eta vs tors. theta energy: -33.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -350.490475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.490475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.490475 (E_RNA) where: Base-Base interactions energy: -232.928 where: short stacking energy: -99.505 Base-Backbone interact. energy: -0.033 local terms energy: -117.529275 where: bonds (distance) C4'-P energy: -22.579 bonds (distance) P-C4' energy: -25.276 flat angles C4'-P-C4' energy: -21.544 flat angles P-C4'-P energy: -16.444 tors. eta vs tors. theta energy: -31.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -327.673378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.673378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.673378 (E_RNA) where: Base-Base interactions energy: -211.767 where: short stacking energy: -105.750 Base-Backbone interact. energy: -0.546 local terms energy: -115.360226 where: bonds (distance) C4'-P energy: -19.068 bonds (distance) P-C4' energy: -21.763 flat angles C4'-P-C4' energy: -27.625 flat angles P-C4'-P energy: -13.861 tors. eta vs tors. theta energy: -33.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -336.570406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.570406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.570406 (E_RNA) where: Base-Base interactions energy: -222.250 where: short stacking energy: -112.565 Base-Backbone interact. energy: -0.233 local terms energy: -114.086945 where: bonds (distance) C4'-P energy: -20.155 bonds (distance) P-C4' energy: -23.685 flat angles C4'-P-C4' energy: -21.196 flat angles P-C4'-P energy: -15.485 tors. eta vs tors. theta energy: -33.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -198.764491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.764491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.764491 (E_RNA) where: Base-Base interactions energy: -108.721 where: short stacking energy: -64.393 Base-Backbone interact. energy: -0.587 local terms energy: -89.455929 where: bonds (distance) C4'-P energy: -23.655 bonds (distance) P-C4' energy: -28.364 flat angles C4'-P-C4' energy: -15.215 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -15.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -227.126377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.126377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.126377 (E_RNA) where: Base-Base interactions energy: -139.899 where: short stacking energy: -70.537 Base-Backbone interact. energy: -0.574 local terms energy: -86.652754 where: bonds (distance) C4'-P energy: -17.190 bonds (distance) P-C4' energy: -20.037 flat angles C4'-P-C4' energy: -23.835 flat angles P-C4'-P energy: -13.203 tors. eta vs tors. theta energy: -12.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -243.156467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.156467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.156467 (E_RNA) where: Base-Base interactions energy: -149.272 where: short stacking energy: -72.807 Base-Backbone interact. energy: -0.536 local terms energy: -93.348086 where: bonds (distance) C4'-P energy: -20.173 bonds (distance) P-C4' energy: -23.934 flat angles C4'-P-C4' energy: -24.066 flat angles P-C4'-P energy: -11.195 tors. eta vs tors. theta energy: -13.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -124.834203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.834203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.834203 (E_RNA) where: Base-Base interactions energy: -62.141 where: short stacking energy: -51.096 Base-Backbone interact. energy: -0.291 local terms energy: -62.402761 where: bonds (distance) C4'-P energy: -17.553 bonds (distance) P-C4' energy: -15.515 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -13.676 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -411.749498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.749498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.749498 (E_RNA) where: Base-Base interactions energy: -282.312 where: short stacking energy: -120.489 Base-Backbone interact. energy: -0.066 local terms energy: -129.371819 where: bonds (distance) C4'-P energy: -21.625 bonds (distance) P-C4' energy: -24.826 flat angles C4'-P-C4' energy: -27.805 flat angles P-C4'-P energy: -17.341 tors. eta vs tors. theta energy: -37.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -405.899932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.899932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.899932 (E_RNA) where: Base-Base interactions energy: -286.509 where: short stacking energy: -117.619 Base-Backbone interact. energy: -0.308 local terms energy: -119.083142 where: bonds (distance) C4'-P energy: -18.368 bonds (distance) P-C4' energy: -25.186 flat angles C4'-P-C4' energy: -25.773 flat angles P-C4'-P energy: -17.508 tors. eta vs tors. theta energy: -32.247 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: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -381.640948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.640948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.640948 (E_RNA) where: Base-Base interactions energy: -264.962 where: short stacking energy: -126.390 Base-Backbone interact. energy: -1.146 local terms energy: -115.532352 where: bonds (distance) C4'-P energy: -19.483 bonds (distance) P-C4' energy: -22.194 flat angles C4'-P-C4' energy: -20.068 flat angles P-C4'-P energy: -18.660 tors. eta vs tors. theta energy: -35.127 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: 341 Temperature: 1.050000 Total energy: -358.910610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.910610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.910610 (E_RNA) where: Base-Base interactions energy: -246.763 where: short stacking energy: -116.709 Base-Backbone interact. energy: -0.002 local terms energy: -112.145297 where: bonds (distance) C4'-P energy: -21.209 bonds (distance) P-C4' energy: -20.464 flat angles C4'-P-C4' energy: -26.074 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -33.660 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: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -315.530647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.530647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.530647 (E_RNA) where: Base-Base interactions energy: -201.647 where: short stacking energy: -93.593 Base-Backbone interact. energy: -0.241 local terms energy: -113.643261 where: bonds (distance) C4'-P energy: -24.911 bonds (distance) P-C4' energy: -25.847 flat angles C4'-P-C4' energy: -22.290 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -30.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -340.230958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.230958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.230958 (E_RNA) where: Base-Base interactions energy: -221.231 where: short stacking energy: -110.031 Base-Backbone interact. energy: -0.301 local terms energy: -118.699078 where: bonds (distance) C4'-P energy: -21.135 bonds (distance) P-C4' energy: -24.069 flat angles C4'-P-C4' energy: -25.510 flat angles P-C4'-P energy: -15.413 tors. eta vs tors. theta energy: -32.572 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: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -196.980233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.980233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.980233 (E_RNA) where: Base-Base interactions energy: -103.220 where: short stacking energy: -46.426 Base-Backbone interact. energy: -0.391 local terms energy: -93.369561 where: bonds (distance) C4'-P energy: -26.258 bonds (distance) P-C4' energy: -23.904 flat angles C4'-P-C4' energy: -23.281 flat angles P-C4'-P energy: -12.603 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: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -260.909967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.909967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.909967 (E_RNA) where: Base-Base interactions energy: -167.922 where: short stacking energy: -74.498 Base-Backbone interact. energy: -0.432 local terms energy: -92.555494 where: bonds (distance) C4'-P energy: -21.968 bonds (distance) P-C4' energy: -26.178 flat angles C4'-P-C4' energy: -17.744 flat angles P-C4'-P energy: -12.362 tors. eta vs tors. theta energy: -14.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -214.408415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.408415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.408415 (E_RNA) where: Base-Base interactions energy: -136.014 where: short stacking energy: -58.590 Base-Backbone interact. energy: -0.440 local terms energy: -77.954495 where: bonds (distance) C4'-P energy: -24.738 bonds (distance) P-C4' energy: -20.362 flat angles C4'-P-C4' energy: -17.010 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -6.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -116.318271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.318271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.318271 (E_RNA) where: Base-Base interactions energy: -47.374 where: short stacking energy: -43.614 Base-Backbone interact. energy: 0.307 local terms energy: -69.250603 where: bonds (distance) C4'-P energy: -18.711 bonds (distance) P-C4' energy: -24.579 flat angles C4'-P-C4' energy: -16.747 flat angles P-C4'-P energy: -11.864 tors. eta vs tors. theta energy: 2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -407.161074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.161074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.161074 (E_RNA) where: Base-Base interactions energy: -286.017 where: short stacking energy: -124.373 Base-Backbone interact. energy: -0.394 local terms energy: -120.750610 where: bonds (distance) C4'-P energy: -21.269 bonds (distance) P-C4' energy: -22.291 flat angles C4'-P-C4' energy: -24.830 flat angles P-C4'-P energy: -18.614 tors. eta vs tors. theta energy: -33.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -393.843311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.843311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.843311 (E_RNA) where: Base-Base interactions energy: -265.657 where: short stacking energy: -117.910 Base-Backbone interact. energy: -0.119 local terms energy: -128.067557 where: bonds (distance) C4'-P energy: -23.507 bonds (distance) P-C4' energy: -23.980 flat angles C4'-P-C4' energy: -27.223 flat angles P-C4'-P energy: -15.200 tors. eta vs tors. theta energy: -38.158 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: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -379.709369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.709369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.709369 (E_RNA) where: Base-Base interactions energy: -252.478 where: short stacking energy: -113.530 Base-Backbone interact. energy: -0.083 local terms energy: -127.148987 where: bonds (distance) C4'-P energy: -27.270 bonds (distance) P-C4' energy: -25.871 flat angles C4'-P-C4' energy: -23.606 flat angles P-C4'-P energy: -18.326 tors. eta vs tors. theta energy: -32.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -366.665222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.665222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.665222 (E_RNA) where: Base-Base interactions energy: -247.586 where: short stacking energy: -108.242 Base-Backbone interact. energy: -0.356 local terms energy: -118.722573 where: bonds (distance) C4'-P energy: -22.053 bonds (distance) P-C4' energy: -22.334 flat angles C4'-P-C4' energy: -25.152 flat angles P-C4'-P energy: -18.615 tors. eta vs tors. theta energy: -30.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -344.471742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.471742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.471742 (E_RNA) where: Base-Base interactions energy: -226.070 where: short stacking energy: -107.292 Base-Backbone interact. energy: -0.311 local terms energy: -118.090168 where: bonds (distance) C4'-P energy: -21.729 bonds (distance) P-C4' energy: -26.336 flat angles C4'-P-C4' energy: -22.347 flat angles P-C4'-P energy: -15.383 tors. eta vs tors. theta energy: -32.296 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: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -316.339627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.339627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.339627 (E_RNA) where: Base-Base interactions energy: -210.653 where: short stacking energy: -107.514 Base-Backbone interact. energy: -0.288 local terms energy: -105.398958 where: bonds (distance) C4'-P energy: -20.590 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -22.896 flat angles P-C4'-P energy: -15.553 tors. eta vs tors. theta energy: -31.027 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: 342 Temperature: 1.200000 Total energy: -250.767183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.767183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.767183 (E_RNA) where: Base-Base interactions energy: -152.092 where: short stacking energy: -69.619 Base-Backbone interact. energy: -0.956 local terms energy: -97.719019 where: bonds (distance) C4'-P energy: -22.916 bonds (distance) P-C4' energy: -22.235 flat angles C4'-P-C4' energy: -23.858 flat angles P-C4'-P energy: -13.575 tors. eta vs tors. theta energy: -15.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -198.762196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.762196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.762196 (E_RNA) where: Base-Base interactions energy: -124.263 where: short stacking energy: -62.172 Base-Backbone interact. energy: -0.155 local terms energy: -74.343946 where: bonds (distance) C4'-P energy: -19.617 bonds (distance) P-C4' energy: -23.801 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -7.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -186.560672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.560672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.560672 (E_RNA) where: Base-Base interactions energy: -106.614 where: short stacking energy: -54.692 Base-Backbone interact. energy: -0.530 local terms energy: -79.416780 where: bonds (distance) C4'-P energy: -16.911 bonds (distance) P-C4' energy: -16.715 flat angles C4'-P-C4' energy: -22.226 flat angles P-C4'-P energy: -18.631 tors. eta vs tors. theta energy: -4.933 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: 342 Temperature: 1.350000 Total energy: -112.291409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.291409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.291409 (E_RNA) where: Base-Base interactions energy: -47.338 where: short stacking energy: -42.290 Base-Backbone interact. energy: -0.653 local terms energy: -64.300359 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -19.451 flat angles C4'-P-C4' energy: -23.961 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: 1.198 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: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -397.366024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.366024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.366024 (E_RNA) where: Base-Base interactions energy: -274.324 where: short stacking energy: -115.714 Base-Backbone interact. energy: -0.036 local terms energy: -123.005466 where: bonds (distance) C4'-P energy: -21.351 bonds (distance) P-C4' energy: -22.856 flat angles C4'-P-C4' energy: -25.252 flat angles P-C4'-P energy: -18.894 tors. eta vs tors. theta energy: -34.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -388.072696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.072696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.072696 (E_RNA) where: Base-Base interactions energy: -252.867 where: short stacking energy: -111.984 Base-Backbone interact. energy: -2.801 local terms energy: -132.404958 where: bonds (distance) C4'-P energy: -25.842 bonds (distance) P-C4' energy: -29.334 flat angles C4'-P-C4' energy: -22.432 flat angles P-C4'-P energy: -21.375 tors. eta vs tors. theta energy: -33.423 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: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -370.597766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.597766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.597766 (E_RNA) where: Base-Base interactions energy: -243.058 where: short stacking energy: -114.143 Base-Backbone interact. energy: 0.987 local terms energy: -128.527220 where: bonds (distance) C4'-P energy: -24.864 bonds (distance) P-C4' energy: -21.868 flat angles C4'-P-C4' energy: -28.041 flat angles P-C4'-P energy: -17.930 tors. eta vs tors. theta energy: -35.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -383.744564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.744564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.744564 (E_RNA) where: Base-Base interactions energy: -261.633 where: short stacking energy: -110.036 Base-Backbone interact. energy: -0.164 local terms energy: -121.947585 where: bonds (distance) C4'-P energy: -21.505 bonds (distance) P-C4' energy: -28.331 flat angles C4'-P-C4' energy: -21.645 flat angles P-C4'-P energy: -16.772 tors. eta vs tors. theta energy: -33.695 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: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -345.054126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.054126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.054126 (E_RNA) where: Base-Base interactions energy: -235.768 where: short stacking energy: -119.751 Base-Backbone interact. energy: -0.385 local terms energy: -108.901788 where: bonds (distance) C4'-P energy: -20.530 bonds (distance) P-C4' energy: -15.803 flat angles C4'-P-C4' energy: -24.209 flat angles P-C4'-P energy: -13.892 tors. eta vs tors. theta energy: -34.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -328.401281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.401281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.401281 (E_RNA) where: Base-Base interactions energy: -208.624 where: short stacking energy: -102.683 Base-Backbone interact. energy: -0.793 local terms energy: -118.984272 where: bonds (distance) C4'-P energy: -23.612 bonds (distance) P-C4' energy: -23.761 flat angles C4'-P-C4' energy: -28.361 flat angles P-C4'-P energy: -15.584 tors. eta vs tors. theta energy: -27.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -245.132722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.132722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.132722 (E_RNA) where: Base-Base interactions energy: -157.454 where: short stacking energy: -67.400 Base-Backbone interact. energy: -0.424 local terms energy: -87.254506 where: bonds (distance) C4'-P energy: -21.951 bonds (distance) P-C4' energy: -15.940 flat angles C4'-P-C4' energy: -21.253 flat angles P-C4'-P energy: -15.151 tors. eta vs tors. theta energy: -12.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -191.337228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.337228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.337228 (E_RNA) where: Base-Base interactions energy: -109.172 where: short stacking energy: -70.516 Base-Backbone interact. energy: -0.359 local terms energy: -81.805897 where: bonds (distance) C4'-P energy: -24.136 bonds (distance) P-C4' energy: -20.381 flat angles C4'-P-C4' energy: -19.867 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -7.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -180.930461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.930461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.930461 (E_RNA) where: Base-Base interactions energy: -99.343 where: short stacking energy: -59.024 Base-Backbone interact. energy: 0.379 local terms energy: -81.966150 where: bonds (distance) C4'-P energy: -18.689 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -23.370 flat angles P-C4'-P energy: -15.003 tors. eta vs tors. theta energy: -10.153 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: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -116.126123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.126123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.126123 (E_RNA) where: Base-Base interactions energy: -36.170 where: short stacking energy: -36.170 Base-Backbone interact. energy: -0.262 local terms energy: -79.694051 where: bonds (distance) C4'-P energy: -22.861 bonds (distance) P-C4' energy: -20.425 flat angles C4'-P-C4' energy: -18.987 flat angles P-C4'-P energy: -14.268 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -408.942154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.942154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.942154 (E_RNA) where: Base-Base interactions energy: -288.387 where: short stacking energy: -118.620 Base-Backbone interact. energy: -0.628 local terms energy: -119.927287 where: bonds (distance) C4'-P energy: -21.944 bonds (distance) P-C4' energy: -25.599 flat angles C4'-P-C4' energy: -21.555 flat angles P-C4'-P energy: -14.589 tors. eta vs tors. theta energy: -36.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -390.511823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.511823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.511823 (E_RNA) where: Base-Base interactions energy: -261.147 where: short stacking energy: -117.785 Base-Backbone interact. energy: -0.268 local terms energy: -129.096892 where: bonds (distance) C4'-P energy: -23.665 bonds (distance) P-C4' energy: -22.665 flat angles C4'-P-C4' energy: -29.855 flat angles P-C4'-P energy: -21.357 tors. eta vs tors. theta energy: -31.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -386.380128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.380128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.380128 (E_RNA) where: Base-Base interactions energy: -268.756 where: short stacking energy: -115.354 Base-Backbone interact. energy: -0.339 local terms energy: -117.284439 where: bonds (distance) C4'-P energy: -19.439 bonds (distance) P-C4' energy: -27.051 flat angles C4'-P-C4' energy: -22.886 flat angles P-C4'-P energy: -15.778 tors. eta vs tors. theta energy: -32.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -351.371391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.371391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.371391 (E_RNA) where: Base-Base interactions energy: -238.512 where: short stacking energy: -111.119 Base-Backbone interact. energy: -0.185 local terms energy: -112.675042 where: bonds (distance) C4'-P energy: -25.068 bonds (distance) P-C4' energy: -19.312 flat angles C4'-P-C4' energy: -22.436 flat angles P-C4'-P energy: -14.210 tors. eta vs tors. theta energy: -31.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -342.034951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.034951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.034951 (E_RNA) where: Base-Base interactions energy: -228.486 where: short stacking energy: -108.417 Base-Backbone interact. energy: -0.024 local terms energy: -113.525754 where: bonds (distance) C4'-P energy: -21.904 bonds (distance) P-C4' energy: -22.093 flat angles C4'-P-C4' energy: -24.891 flat angles P-C4'-P energy: -13.516 tors. eta vs tors. theta energy: -31.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -323.928928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.928928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.928928 (E_RNA) where: Base-Base interactions energy: -213.353 where: short stacking energy: -113.040 Base-Backbone interact. energy: -0.045 local terms energy: -110.531257 where: bonds (distance) C4'-P energy: -24.141 bonds (distance) P-C4' energy: -18.273 flat angles C4'-P-C4' energy: -27.045 flat angles P-C4'-P energy: -13.347 tors. eta vs tors. theta energy: -27.725 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: 7, replica: 7 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -262.253657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.253657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.253657 (E_RNA) where: Base-Base interactions energy: -167.855 where: short stacking energy: -78.878 Base-Backbone interact. energy: -1.084 local terms energy: -93.314831 where: bonds (distance) C4'-P energy: -19.591 bonds (distance) P-C4' energy: -20.173 flat angles C4'-P-C4' energy: -18.482 flat angles P-C4'-P energy: -19.266 tors. eta vs tors. theta energy: -15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -207.778483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.778483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.778483 (E_RNA) where: Base-Base interactions energy: -123.628 where: short stacking energy: -77.498 Base-Backbone interact. energy: 1.186 local terms energy: -85.336077 where: bonds (distance) C4'-P energy: -19.040 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -23.393 flat angles P-C4'-P energy: -16.177 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: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -177.565483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.565483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.565483 (E_RNA) where: Base-Base interactions energy: -100.886 where: short stacking energy: -54.376 Base-Backbone interact. energy: -0.163 local terms energy: -76.517155 where: bonds (distance) C4'-P energy: -21.841 bonds (distance) P-C4' energy: -16.747 flat angles C4'-P-C4' energy: -18.028 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -8.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -114.368057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.368057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.368057 (E_RNA) where: Base-Base interactions energy: -41.579 where: short stacking energy: -42.196 Base-Backbone interact. energy: -0.438 local terms energy: -72.350937 where: bonds (distance) C4'-P energy: -16.834 bonds (distance) P-C4' energy: -18.980 flat angles C4'-P-C4' energy: -20.827 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -418.732254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.732254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.732254 (E_RNA) where: Base-Base interactions energy: -290.926 where: short stacking energy: -119.027 Base-Backbone interact. energy: -0.575 local terms energy: -127.231295 where: bonds (distance) C4'-P energy: -25.849 bonds (distance) P-C4' energy: -21.695 flat angles C4'-P-C4' energy: -28.950 flat angles P-C4'-P energy: -15.241 tors. eta vs tors. theta energy: -35.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -392.669399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.669399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.669399 (E_RNA) where: Base-Base interactions energy: -267.530 where: short stacking energy: -111.883 Base-Backbone interact. energy: -0.802 local terms energy: -124.337560 where: bonds (distance) C4'-P energy: -24.583 bonds (distance) P-C4' energy: -23.567 flat angles C4'-P-C4' energy: -20.847 flat angles P-C4'-P energy: -16.841 tors. eta vs tors. theta energy: -38.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -366.186613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.186613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.186613 (E_RNA) where: Base-Base interactions energy: -248.942 where: short stacking energy: -112.967 Base-Backbone interact. energy: -0.662 local terms energy: -116.581929 where: bonds (distance) C4'-P energy: -24.218 bonds (distance) P-C4' energy: -19.308 flat angles C4'-P-C4' energy: -24.500 flat angles P-C4'-P energy: -15.353 tors. eta vs tors. theta energy: -33.202 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: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -367.931487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.931487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.931487 (E_RNA) where: Base-Base interactions energy: -243.572 where: short stacking energy: -124.787 Base-Backbone interact. energy: -0.223 local terms energy: -124.136481 where: bonds (distance) C4'-P energy: -19.245 bonds (distance) P-C4' energy: -23.071 flat angles C4'-P-C4' energy: -26.000 flat angles P-C4'-P energy: -17.565 tors. eta vs tors. theta energy: -38.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -335.950335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.950335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.950335 (E_RNA) where: Base-Base interactions energy: -222.283 where: short stacking energy: -110.393 Base-Backbone interact. energy: -0.972 local terms energy: -112.695130 where: bonds (distance) C4'-P energy: -20.411 bonds (distance) P-C4' energy: -23.791 flat angles C4'-P-C4' energy: -23.040 flat angles P-C4'-P energy: -17.548 tors. eta vs tors. theta energy: -27.905 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: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -301.413887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.413887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.413887 (E_RNA) where: Base-Base interactions energy: -202.330 where: short stacking energy: -101.728 Base-Backbone interact. energy: 0.758 local terms energy: -99.842454 where: bonds (distance) C4'-P energy: -19.267 bonds (distance) P-C4' energy: -16.116 flat angles C4'-P-C4' energy: -19.744 flat angles P-C4'-P energy: -21.023 tors. eta vs tors. theta energy: -23.692 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: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -268.141754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.141754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.141754 (E_RNA) where: Base-Base interactions energy: -169.975 where: short stacking energy: -79.770 Base-Backbone interact. energy: -1.718 local terms energy: -96.448350 where: bonds (distance) C4'-P energy: -20.272 bonds (distance) P-C4' energy: -21.723 flat angles C4'-P-C4' energy: -25.790 flat angles P-C4'-P energy: -11.731 tors. eta vs tors. theta energy: -16.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -225.781876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.781876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.781876 (E_RNA) where: Base-Base interactions energy: -133.278 where: short stacking energy: -63.456 Base-Backbone interact. energy: -0.966 local terms energy: -91.538166 where: bonds (distance) C4'-P energy: -24.539 bonds (distance) P-C4' energy: -15.052 flat angles C4'-P-C4' energy: -21.561 flat angles P-C4'-P energy: -17.911 tors. eta vs tors. theta energy: -12.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -195.399989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.399989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.399989 (E_RNA) where: Base-Base interactions energy: -113.659 where: short stacking energy: -67.663 Base-Backbone interact. energy: -0.167 local terms energy: -81.574144 where: bonds (distance) C4'-P energy: -21.190 bonds (distance) P-C4' energy: -16.140 flat angles C4'-P-C4' energy: -19.332 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -12.975 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: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -121.938568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.938568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.938568 (E_RNA) where: Base-Base interactions energy: -39.916 where: short stacking energy: -39.296 Base-Backbone interact. energy: -0.810 local terms energy: -81.212207 where: bonds (distance) C4'-P energy: -27.887 bonds (distance) P-C4' energy: -19.850 flat angles C4'-P-C4' energy: -21.597 flat angles P-C4'-P energy: -11.915 tors. eta vs tors. theta energy: 0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -406.265204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.265204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.265204 (E_RNA) where: Base-Base interactions energy: -274.543 where: short stacking energy: -120.437 Base-Backbone interact. energy: -1.489 local terms energy: -130.232432 where: bonds (distance) C4'-P energy: -21.165 bonds (distance) P-C4' energy: -27.836 flat angles C4'-P-C4' energy: -25.908 flat angles P-C4'-P energy: -18.921 tors. eta vs tors. theta energy: -36.403 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: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -403.431837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.431837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.431837 (E_RNA) where: Base-Base interactions energy: -273.316 where: short stacking energy: -113.344 Base-Backbone interact. energy: -0.445 local terms energy: -129.670801 where: bonds (distance) C4'-P energy: -23.985 bonds (distance) P-C4' energy: -26.058 flat angles C4'-P-C4' energy: -23.978 flat angles P-C4'-P energy: -20.470 tors. eta vs tors. theta energy: -35.179 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: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -364.801957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.801957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.801957 (E_RNA) where: Base-Base interactions energy: -247.573 where: short stacking energy: -120.507 Base-Backbone interact. energy: -0.688 local terms energy: -116.541659 where: bonds (distance) C4'-P energy: -17.409 bonds (distance) P-C4' energy: -22.718 flat angles C4'-P-C4' energy: -25.053 flat angles P-C4'-P energy: -16.644 tors. eta vs tors. theta energy: -34.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -342.602295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.602295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.602295 (E_RNA) where: Base-Base interactions energy: -226.464 where: short stacking energy: -96.370 Base-Backbone interact. energy: -0.711 local terms energy: -115.426827 where: bonds (distance) C4'-P energy: -22.364 bonds (distance) P-C4' energy: -20.792 flat angles C4'-P-C4' energy: -25.386 flat angles P-C4'-P energy: -15.519 tors. eta vs tors. theta energy: -31.366 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: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -323.167194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.167194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.167194 (E_RNA) where: Base-Base interactions energy: -208.187 where: short stacking energy: -99.864 Base-Backbone interact. energy: -0.228 local terms energy: -114.752055 where: bonds (distance) C4'-P energy: -21.620 bonds (distance) P-C4' energy: -18.268 flat angles C4'-P-C4' energy: -28.152 flat angles P-C4'-P energy: -19.576 tors. eta vs tors. theta energy: -27.137 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: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -308.498850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.498850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.498850 (E_RNA) where: Base-Base interactions energy: -199.563 where: short stacking energy: -92.996 Base-Backbone interact. energy: 0.117 local terms energy: -109.052977 where: bonds (distance) C4'-P energy: -20.377 bonds (distance) P-C4' energy: -24.532 flat angles C4'-P-C4' energy: -24.171 flat angles P-C4'-P energy: -12.281 tors. eta vs tors. theta energy: -27.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -222.993273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.993273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.993273 (E_RNA) where: Base-Base interactions energy: -135.700 where: short stacking energy: -80.245 Base-Backbone interact. energy: -0.636 local terms energy: -86.656952 where: bonds (distance) C4'-P energy: -17.484 bonds (distance) P-C4' energy: -20.051 flat angles C4'-P-C4' energy: -19.196 flat angles P-C4'-P energy: -12.405 tors. eta vs tors. theta energy: -17.521 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: 346 Temperature: 1.250000 Total energy: -236.097006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.097006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.097006 (E_RNA) where: Base-Base interactions energy: -156.800 where: short stacking energy: -82.825 Base-Backbone interact. energy: -1.685 local terms energy: -77.611218 where: bonds (distance) C4'-P energy: -18.720 bonds (distance) P-C4' energy: -22.929 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -11.058 tors. eta vs tors. theta energy: -12.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -176.148522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.148522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.148522 (E_RNA) where: Base-Base interactions energy: -91.964 where: short stacking energy: -45.396 Base-Backbone interact. energy: -0.098 local terms energy: -84.086267 where: bonds (distance) C4'-P energy: -19.651 bonds (distance) P-C4' energy: -24.848 flat angles C4'-P-C4' energy: -22.055 flat angles P-C4'-P energy: -14.188 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -194.460729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.460729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.460729 (E_RNA) where: Base-Base interactions energy: -104.024 where: short stacking energy: -61.197 Base-Backbone interact. energy: 3.063 local terms energy: -93.499396 where: bonds (distance) C4'-P energy: -16.342 bonds (distance) P-C4' energy: -19.781 flat angles C4'-P-C4' energy: -25.093 flat angles P-C4'-P energy: -19.527 tors. eta vs tors. theta energy: -12.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -410.596922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.596922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.596922 (E_RNA) where: Base-Base interactions energy: -279.281 where: short stacking energy: -122.225 Base-Backbone interact. energy: -0.154 local terms energy: -131.161304 where: bonds (distance) C4'-P energy: -22.444 bonds (distance) P-C4' energy: -27.131 flat angles C4'-P-C4' energy: -27.583 flat angles P-C4'-P energy: -19.661 tors. eta vs tors. theta energy: -34.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -390.924332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.924332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.924332 (E_RNA) where: Base-Base interactions energy: -265.776 where: short stacking energy: -113.806 Base-Backbone interact. energy: -0.254 local terms energy: -124.895072 where: bonds (distance) C4'-P energy: -23.085 bonds (distance) P-C4' energy: -25.226 flat angles C4'-P-C4' energy: -25.690 flat angles P-C4'-P energy: -16.787 tors. eta vs tors. theta energy: -34.107 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: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -353.972318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.972318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.972318 (E_RNA) where: Base-Base interactions energy: -238.657 where: short stacking energy: -116.058 Base-Backbone interact. energy: -0.047 local terms energy: -115.268362 where: bonds (distance) C4'-P energy: -22.460 bonds (distance) P-C4' energy: -18.854 flat angles C4'-P-C4' energy: -27.010 flat angles P-C4'-P energy: -15.445 tors. eta vs tors. theta energy: -31.499 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: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -332.570431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.570431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.570431 (E_RNA) where: Base-Base interactions energy: -221.164 where: short stacking energy: -117.308 Base-Backbone interact. energy: -0.026 local terms energy: -111.380602 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -21.506 flat angles C4'-P-C4' energy: -25.164 flat angles P-C4'-P energy: -16.398 tors. eta vs tors. theta energy: -34.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -345.143034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.143034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.143034 (E_RNA) where: Base-Base interactions energy: -234.331 where: short stacking energy: -95.858 Base-Backbone interact. energy: -1.662 local terms energy: -109.149882 where: bonds (distance) C4'-P energy: -21.715 bonds (distance) P-C4' energy: -21.849 flat angles C4'-P-C4' energy: -20.426 flat angles P-C4'-P energy: -20.675 tors. eta vs tors. theta energy: -24.485 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: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -302.724086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.724086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.724086 (E_RNA) where: Base-Base interactions energy: -199.789 where: short stacking energy: -85.365 Base-Backbone interact. energy: -1.245 local terms energy: -101.689809 where: bonds (distance) C4'-P energy: -21.254 bonds (distance) P-C4' energy: -22.935 flat angles C4'-P-C4' energy: -17.999 flat angles P-C4'-P energy: -19.715 tors. eta vs tors. theta energy: -19.787 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: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -211.596608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.596608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.596608 (E_RNA) where: Base-Base interactions energy: -120.484 where: short stacking energy: -79.380 Base-Backbone interact. energy: -0.145 local terms energy: -90.967156 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -20.143 flat angles C4'-P-C4' energy: -20.976 flat angles P-C4'-P energy: -15.477 tors. eta vs tors. theta energy: -19.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -193.051602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.051602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.051602 (E_RNA) where: Base-Base interactions energy: -114.298 where: short stacking energy: -63.055 Base-Backbone interact. energy: 1.905 local terms energy: -80.657653 where: bonds (distance) C4'-P energy: -11.004 bonds (distance) P-C4' energy: -24.673 flat angles C4'-P-C4' energy: -19.434 flat angles P-C4'-P energy: -16.914 tors. eta vs tors. theta energy: -8.633 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: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -230.410012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.410012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.410012 (E_RNA) where: Base-Base interactions energy: -138.250 where: short stacking energy: -65.958 Base-Backbone interact. energy: -0.116 local terms energy: -92.044166 where: bonds (distance) C4'-P energy: -19.534 bonds (distance) P-C4' energy: -30.459 flat angles C4'-P-C4' energy: -19.358 flat angles P-C4'-P energy: -15.870 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -177.852191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.852191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.852191 (E_RNA) where: Base-Base interactions energy: -101.257 where: short stacking energy: -59.088 Base-Backbone interact. energy: 0.036 local terms energy: -76.631399 where: bonds (distance) C4'-P energy: -20.684 bonds (distance) P-C4' energy: -19.527 flat angles C4'-P-C4' energy: -18.502 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -12.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -406.560111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.560111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.560111 (E_RNA) where: Base-Base interactions energy: -279.685 where: short stacking energy: -128.065 Base-Backbone interact. energy: -0.495 local terms energy: -126.379259 where: bonds (distance) C4'-P energy: -20.800 bonds (distance) P-C4' energy: -22.308 flat angles C4'-P-C4' energy: -28.724 flat angles P-C4'-P energy: -15.391 tors. eta vs tors. theta energy: -39.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -418.556755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.556755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.556755 (E_RNA) where: Base-Base interactions energy: -297.229 where: short stacking energy: -121.522 Base-Backbone interact. energy: -0.047 local terms energy: -121.280532 where: bonds (distance) C4'-P energy: -24.040 bonds (distance) P-C4' energy: -23.164 flat angles C4'-P-C4' energy: -25.387 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -36.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -350.708482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.708482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.708482 (E_RNA) where: Base-Base interactions energy: -229.486 where: short stacking energy: -110.507 Base-Backbone interact. energy: -0.398 local terms energy: -120.823931 where: bonds (distance) C4'-P energy: -20.006 bonds (distance) P-C4' energy: -24.667 flat angles C4'-P-C4' energy: -26.810 flat angles P-C4'-P energy: -16.640 tors. eta vs tors. theta energy: -32.701 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: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -350.815162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.815162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.815162 (E_RNA) where: Base-Base interactions energy: -232.924 where: short stacking energy: -119.934 Base-Backbone interact. energy: -0.362 local terms energy: -117.529815 where: bonds (distance) C4'-P energy: -22.382 bonds (distance) P-C4' energy: -24.678 flat angles C4'-P-C4' energy: -24.665 flat angles P-C4'-P energy: -12.831 tors. eta vs tors. theta energy: -32.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -347.355893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.355893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.355893 (E_RNA) where: Base-Base interactions energy: -238.315 where: short stacking energy: -97.324 Base-Backbone interact. energy: -0.432 local terms energy: -108.609342 where: bonds (distance) C4'-P energy: -18.706 bonds (distance) P-C4' energy: -20.815 flat angles C4'-P-C4' energy: -25.965 flat angles P-C4'-P energy: -15.834 tors. eta vs tors. theta energy: -27.290 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: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -318.820490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.820490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.820490 (E_RNA) where: Base-Base interactions energy: -220.693 where: short stacking energy: -91.707 Base-Backbone interact. energy: -1.076 local terms energy: -97.051568 where: bonds (distance) C4'-P energy: -20.523 bonds (distance) P-C4' energy: -20.840 flat angles C4'-P-C4' energy: -17.757 flat angles P-C4'-P energy: -14.354 tors. eta vs tors. theta energy: -23.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -206.452327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.452327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.452327 (E_RNA) where: Base-Base interactions energy: -116.578 where: short stacking energy: -70.388 Base-Backbone interact. energy: -0.026 local terms energy: -89.848192 where: bonds (distance) C4'-P energy: -25.577 bonds (distance) P-C4' energy: -19.543 flat angles C4'-P-C4' energy: -25.393 flat angles P-C4'-P energy: -13.786 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -237.752995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.752995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.752995 (E_RNA) where: Base-Base interactions energy: -139.433 where: short stacking energy: -71.728 Base-Backbone interact. energy: -0.203 local terms energy: -98.116269 where: bonds (distance) C4'-P energy: -24.851 bonds (distance) P-C4' energy: -21.092 flat angles C4'-P-C4' energy: -25.961 flat angles P-C4'-P energy: -16.241 tors. eta vs tors. theta energy: -9.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -212.416284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.416284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.416284 (E_RNA) where: Base-Base interactions energy: -130.389 where: short stacking energy: -61.044 Base-Backbone interact. energy: -0.306 local terms energy: -81.721298 where: bonds (distance) C4'-P energy: -17.259 bonds (distance) P-C4' energy: -23.201 flat angles C4'-P-C4' energy: -21.378 flat angles P-C4'-P energy: -13.943 tors. eta vs tors. theta energy: -5.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -185.505977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.505977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.505977 (E_RNA) where: Base-Base interactions energy: -100.158 where: short stacking energy: -54.112 Base-Backbone interact. energy: -0.386 local terms energy: -84.962609 where: bonds (distance) C4'-P energy: -24.546 bonds (distance) P-C4' energy: -23.467 flat angles C4'-P-C4' energy: -15.694 flat angles P-C4'-P energy: -14.569 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: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -413.930655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.930655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.930655 (E_RNA) where: Base-Base interactions energy: -281.743 where: short stacking energy: -120.661 Base-Backbone interact. energy: -0.529 local terms energy: -131.658420 where: bonds (distance) C4'-P energy: -24.052 bonds (distance) P-C4' energy: -24.472 flat angles C4'-P-C4' energy: -27.563 flat angles P-C4'-P energy: -16.436 tors. eta vs tors. theta energy: -39.135 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: 349 Temperature: 0.950000 Total energy: -408.237618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.237618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.237618 (E_RNA) where: Base-Base interactions energy: -294.101 where: short stacking energy: -116.809 Base-Backbone interact. energy: -0.061 local terms energy: -114.075820 where: bonds (distance) C4'-P energy: -21.433 bonds (distance) P-C4' energy: -24.506 flat angles C4'-P-C4' energy: -23.347 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -33.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -339.897601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.897601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.897601 (E_RNA) where: Base-Base interactions energy: -216.697 where: short stacking energy: -103.652 Base-Backbone interact. energy: -0.007 local terms energy: -123.193527 where: bonds (distance) C4'-P energy: -23.702 bonds (distance) P-C4' energy: -22.977 flat angles C4'-P-C4' energy: -24.665 flat angles P-C4'-P energy: -20.235 tors. eta vs tors. theta energy: -31.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -357.392705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.392705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.392705 (E_RNA) where: Base-Base interactions energy: -236.066 where: short stacking energy: -111.275 Base-Backbone interact. energy: -0.002 local terms energy: -121.324499 where: bonds (distance) C4'-P energy: -21.809 bonds (distance) P-C4' energy: -24.220 flat angles C4'-P-C4' energy: -25.751 flat angles P-C4'-P energy: -15.042 tors. eta vs tors. theta energy: -34.502 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: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -362.871984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.871984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.871984 (E_RNA) where: Base-Base interactions energy: -246.269 where: short stacking energy: -103.951 Base-Backbone interact. energy: -0.191 local terms energy: -116.412745 where: bonds (distance) C4'-P energy: -17.349 bonds (distance) P-C4' energy: -27.513 flat angles C4'-P-C4' energy: -26.158 flat angles P-C4'-P energy: -17.809 tors. eta vs tors. theta energy: -27.584 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: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -324.733845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.733845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.733845 (E_RNA) where: Base-Base interactions energy: -213.401 where: short stacking energy: -99.428 Base-Backbone interact. energy: -0.439 local terms energy: -110.894378 where: bonds (distance) C4'-P energy: -18.519 bonds (distance) P-C4' energy: -24.706 flat angles C4'-P-C4' energy: -24.112 flat angles P-C4'-P energy: -18.627 tors. eta vs tors. theta energy: -24.930 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: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -213.367221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.367221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.367221 (E_RNA) where: Base-Base interactions energy: -137.469 where: short stacking energy: -61.819 Base-Backbone interact. energy: -0.209 local terms energy: -75.689704 where: bonds (distance) C4'-P energy: -17.400 bonds (distance) P-C4' energy: -21.564 flat angles C4'-P-C4' energy: -18.878 flat angles P-C4'-P energy: -13.453 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -234.187099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.187099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.187099 (E_RNA) where: Base-Base interactions energy: -143.252 where: short stacking energy: -70.329 Base-Backbone interact. energy: 0.969 local terms energy: -91.904381 where: bonds (distance) C4'-P energy: -20.299 bonds (distance) P-C4' energy: -23.551 flat angles C4'-P-C4' energy: -22.387 flat angles P-C4'-P energy: -15.795 tors. eta vs tors. theta energy: -9.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -239.389283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.389283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.389283 (E_RNA) where: Base-Base interactions energy: -151.143 where: short stacking energy: -59.609 Base-Backbone interact. energy: 0.942 local terms energy: -89.188219 where: bonds (distance) C4'-P energy: -20.751 bonds (distance) P-C4' energy: -23.811 flat angles C4'-P-C4' energy: -19.689 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -15.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -181.926916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.926916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.926916 (E_RNA) where: Base-Base interactions energy: -100.671 where: short stacking energy: -46.753 Base-Backbone interact. energy: 0.873 local terms energy: -82.128850 where: bonds (distance) C4'-P energy: -17.785 bonds (distance) P-C4' energy: -18.386 flat angles C4'-P-C4' energy: -21.760 flat angles P-C4'-P energy: -19.821 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: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -407.874496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.874496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.874496 (E_RNA) where: Base-Base interactions energy: -276.399 where: short stacking energy: -119.242 Base-Backbone interact. energy: -0.114 local terms energy: -131.361478 where: bonds (distance) C4'-P energy: -24.820 bonds (distance) P-C4' energy: -25.920 flat angles C4'-P-C4' energy: -24.110 flat angles P-C4'-P energy: -19.897 tors. eta vs tors. theta energy: -36.614 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: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -396.728188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.728188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.728188 (E_RNA) where: Base-Base interactions energy: -272.736 where: short stacking energy: -115.395 Base-Backbone interact. energy: -2.035 local terms energy: -121.956347 where: bonds (distance) C4'-P energy: -21.946 bonds (distance) P-C4' energy: -21.169 flat angles C4'-P-C4' energy: -27.309 flat angles P-C4'-P energy: -16.587 tors. eta vs tors. theta energy: -34.945 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: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -366.065723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.065723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.065723 (E_RNA) where: Base-Base interactions energy: -234.074 where: short stacking energy: -117.415 Base-Backbone interact. energy: -0.387 local terms energy: -131.604705 where: bonds (distance) C4'-P energy: -26.289 bonds (distance) P-C4' energy: -22.268 flat angles C4'-P-C4' energy: -28.457 flat angles P-C4'-P energy: -19.432 tors. eta vs tors. theta energy: -35.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -321.588599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.588599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.588599 (E_RNA) where: Base-Base interactions energy: -205.980 where: short stacking energy: -100.091 Base-Backbone interact. energy: -0.668 local terms energy: -114.940813 where: bonds (distance) C4'-P energy: -21.785 bonds (distance) P-C4' energy: -24.951 flat angles C4'-P-C4' energy: -22.740 flat angles P-C4'-P energy: -20.126 tors. eta vs tors. theta energy: -25.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -325.909131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.909131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.909131 (E_RNA) where: Base-Base interactions energy: -217.767 where: short stacking energy: -93.665 Base-Backbone interact. energy: -0.207 local terms energy: -107.935439 where: bonds (distance) C4'-P energy: -25.503 bonds (distance) P-C4' energy: -19.320 flat angles C4'-P-C4' energy: -22.843 flat angles P-C4'-P energy: -15.043 tors. eta vs tors. theta energy: -25.227 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: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -330.485772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.485772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.485772 (E_RNA) where: Base-Base interactions energy: -217.453 where: short stacking energy: -95.354 Base-Backbone interact. energy: -2.062 local terms energy: -110.971374 where: bonds (distance) C4'-P energy: -20.461 bonds (distance) P-C4' energy: -21.275 flat angles C4'-P-C4' energy: -21.965 flat angles P-C4'-P energy: -15.185 tors. eta vs tors. theta energy: -32.086 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: 350 Temperature: 1.200000 Total energy: -233.511813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.511813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.511813 (E_RNA) where: Base-Base interactions energy: -150.276 where: short stacking energy: -67.915 Base-Backbone interact. energy: -0.184 local terms energy: -83.052301 where: bonds (distance) C4'-P energy: -20.307 bonds (distance) P-C4' energy: -17.296 flat angles C4'-P-C4' energy: -22.005 flat angles P-C4'-P energy: -14.821 tors. eta vs tors. theta energy: -8.624 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: 8, replica: 10 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -236.577526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.577526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.577526 (E_RNA) where: Base-Base interactions energy: -145.697 where: short stacking energy: -60.932 Base-Backbone interact. energy: -0.223 local terms energy: -90.657487 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -21.181 flat angles C4'-P-C4' energy: -23.465 flat angles P-C4'-P energy: -17.335 tors. eta vs tors. theta energy: -14.674 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: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -242.956118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.956118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.956118 (E_RNA) where: Base-Base interactions energy: -168.715 where: short stacking energy: -70.618 Base-Backbone interact. energy: -1.132 local terms energy: -73.109127 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -18.066 flat angles C4'-P-C4' energy: -22.373 flat angles P-C4'-P energy: -11.877 tors. eta vs tors. theta energy: -9.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -207.444211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.444211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.444211 (E_RNA) where: Base-Base interactions energy: -127.957 where: short stacking energy: -71.288 Base-Backbone interact. energy: -0.342 local terms energy: -79.144891 where: bonds (distance) C4'-P energy: -17.947 bonds (distance) P-C4' energy: -22.694 flat angles C4'-P-C4' energy: -12.051 flat angles P-C4'-P energy: -14.374 tors. eta vs tors. theta energy: -12.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -402.765287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.765287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.765287 (E_RNA) where: Base-Base interactions energy: -271.937 where: short stacking energy: -111.477 Base-Backbone interact. energy: -0.004 local terms energy: -130.823607 where: bonds (distance) C4'-P energy: -23.139 bonds (distance) P-C4' energy: -23.805 flat angles C4'-P-C4' energy: -26.049 flat angles P-C4'-P energy: -19.501 tors. eta vs tors. theta energy: -38.330 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: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -414.998970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.998970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.998970 (E_RNA) where: Base-Base interactions energy: -284.643 where: short stacking energy: -117.346 Base-Backbone interact. energy: -0.596 local terms energy: -129.760274 where: bonds (distance) C4'-P energy: -24.398 bonds (distance) P-C4' energy: -25.727 flat angles C4'-P-C4' energy: -24.697 flat angles P-C4'-P energy: -18.205 tors. eta vs tors. theta energy: -36.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -369.332837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.332837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.332837 (E_RNA) where: Base-Base interactions energy: -240.320 where: short stacking energy: -123.057 Base-Backbone interact. energy: -0.109 local terms energy: -128.903940 where: bonds (distance) C4'-P energy: -20.089 bonds (distance) P-C4' energy: -24.464 flat angles C4'-P-C4' energy: -24.886 flat angles P-C4'-P energy: -23.693 tors. eta vs tors. theta energy: -35.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -340.699096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.699096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.699096 (E_RNA) where: Base-Base interactions energy: -235.682 where: short stacking energy: -99.248 Base-Backbone interact. energy: -0.247 local terms energy: -104.770002 where: bonds (distance) C4'-P energy: -20.511 bonds (distance) P-C4' energy: -19.490 flat angles C4'-P-C4' energy: -23.335 flat angles P-C4'-P energy: -15.942 tors. eta vs tors. theta energy: -25.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -315.925052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.925052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.925052 (E_RNA) where: Base-Base interactions energy: -209.559 where: short stacking energy: -105.967 Base-Backbone interact. energy: -0.366 local terms energy: -105.999556 where: bonds (distance) C4'-P energy: -18.544 bonds (distance) P-C4' energy: -24.143 flat angles C4'-P-C4' energy: -19.225 flat angles P-C4'-P energy: -15.644 tors. eta vs tors. theta energy: -28.444 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: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -344.236980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.236980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.236980 (E_RNA) where: Base-Base interactions energy: -235.174 where: short stacking energy: -99.694 Base-Backbone interact. energy: -0.240 local terms energy: -108.823252 where: bonds (distance) C4'-P energy: -16.328 bonds (distance) P-C4' energy: -21.320 flat angles C4'-P-C4' energy: -27.030 flat angles P-C4'-P energy: -14.334 tors. eta vs tors. theta energy: -29.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -233.074622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.074622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.074622 (E_RNA) where: Base-Base interactions energy: -149.035 where: short stacking energy: -64.393 Base-Backbone interact. energy: -1.434 local terms energy: -82.605523 where: bonds (distance) C4'-P energy: -17.080 bonds (distance) P-C4' energy: -22.133 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -12.370 tors. eta vs tors. theta energy: -15.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -264.491456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.491456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.491456 (E_RNA) where: Base-Base interactions energy: -169.277 where: short stacking energy: -71.468 Base-Backbone interact. energy: -0.398 local terms energy: -94.815772 where: bonds (distance) C4'-P energy: -18.191 bonds (distance) P-C4' energy: -26.931 flat angles C4'-P-C4' energy: -24.873 flat angles P-C4'-P energy: -13.326 tors. eta vs tors. theta energy: -11.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -220.621343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.621343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.621343 (E_RNA) where: Base-Base interactions energy: -139.217 where: short stacking energy: -59.773 Base-Backbone interact. energy: -0.120 local terms energy: -81.285140 where: bonds (distance) C4'-P energy: -21.059 bonds (distance) P-C4' energy: -22.866 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -15.342 tors. eta vs tors. theta energy: -10.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -183.869131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.869131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.869131 (E_RNA) where: Base-Base interactions energy: -108.284 where: short stacking energy: -63.145 Base-Backbone interact. energy: 0.046 local terms energy: -75.631484 where: bonds (distance) C4'-P energy: -9.872 bonds (distance) P-C4' energy: -24.134 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -18.116 tors. eta vs tors. theta energy: -8.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -416.275061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.275061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.275061 (E_RNA) where: Base-Base interactions energy: -282.670 where: short stacking energy: -122.507 Base-Backbone interact. energy: -1.159 local terms energy: -132.445457 where: bonds (distance) C4'-P energy: -24.310 bonds (distance) P-C4' energy: -25.499 flat angles C4'-P-C4' energy: -24.493 flat angles P-C4'-P energy: -20.410 tors. eta vs tors. theta energy: -37.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -412.441385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.441385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.441385 (E_RNA) where: Base-Base interactions energy: -294.119 where: short stacking energy: -125.015 Base-Backbone interact. energy: -0.180 local terms energy: -118.142175 where: bonds (distance) C4'-P energy: -26.074 bonds (distance) P-C4' energy: -16.567 flat angles C4'-P-C4' energy: -28.669 flat angles P-C4'-P energy: -12.268 tors. eta vs tors. theta energy: -34.564 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: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -362.083227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.083227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.083227 (E_RNA) where: Base-Base interactions energy: -244.866 where: short stacking energy: -115.698 Base-Backbone interact. energy: 1.467 local terms energy: -118.684082 where: bonds (distance) C4'-P energy: -24.148 bonds (distance) P-C4' energy: -19.652 flat angles C4'-P-C4' energy: -26.385 flat angles P-C4'-P energy: -18.722 tors. eta vs tors. theta energy: -29.778 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: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -362.236556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.236556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.236556 (E_RNA) where: Base-Base interactions energy: -231.281 where: short stacking energy: -109.452 Base-Backbone interact. energy: -0.068 local terms energy: -130.887241 where: bonds (distance) C4'-P energy: -23.981 bonds (distance) P-C4' energy: -27.598 flat angles C4'-P-C4' energy: -27.403 flat angles P-C4'-P energy: -16.584 tors. eta vs tors. theta energy: -35.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -346.528107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.528107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.528107 (E_RNA) where: Base-Base interactions energy: -232.798 where: short stacking energy: -100.410 Base-Backbone interact. energy: -1.971 local terms energy: -111.758641 where: bonds (distance) C4'-P energy: -18.048 bonds (distance) P-C4' energy: -26.735 flat angles C4'-P-C4' energy: -22.826 flat angles P-C4'-P energy: -17.250 tors. eta vs tors. theta energy: -26.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -323.801870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.801870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.801870 (E_RNA) where: Base-Base interactions energy: -211.306 where: short stacking energy: -98.139 Base-Backbone interact. energy: -0.317 local terms energy: -112.179217 where: bonds (distance) C4'-P energy: -21.921 bonds (distance) P-C4' energy: -27.809 flat angles C4'-P-C4' energy: -20.784 flat angles P-C4'-P energy: -14.747 tors. eta vs tors. theta energy: -26.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -261.884886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.884886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.884886 (E_RNA) where: Base-Base interactions energy: -175.199 where: short stacking energy: -77.198 Base-Backbone interact. energy: -0.366 local terms energy: -86.319070 where: bonds (distance) C4'-P energy: -15.654 bonds (distance) P-C4' energy: -20.934 flat angles C4'-P-C4' energy: -20.250 flat angles P-C4'-P energy: -15.370 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -227.659750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.659750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.659750 (E_RNA) where: Base-Base interactions energy: -140.780 where: short stacking energy: -65.532 Base-Backbone interact. energy: -0.632 local terms energy: -86.248067 where: bonds (distance) C4'-P energy: -21.474 bonds (distance) P-C4' energy: -23.248 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -16.055 tors. eta vs tors. theta energy: -10.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -190.087492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.087492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.087492 (E_RNA) where: Base-Base interactions energy: -111.776 where: short stacking energy: -39.280 Base-Backbone interact. energy: -0.235 local terms energy: -78.076560 where: bonds (distance) C4'-P energy: -19.649 bonds (distance) P-C4' energy: -23.278 flat angles C4'-P-C4' energy: -19.963 flat angles P-C4'-P energy: -12.943 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -187.631768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.631768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.631768 (E_RNA) where: Base-Base interactions energy: -127.174 where: short stacking energy: -59.766 Base-Backbone interact. energy: 5.282 local terms energy: -65.739813 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -22.503 flat angles C4'-P-C4' energy: -18.280 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -426.740928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.740928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.740928 (E_RNA) where: Base-Base interactions energy: -295.604 where: short stacking energy: -129.120 Base-Backbone interact. energy: -0.504 local terms energy: -130.632224 where: bonds (distance) C4'-P energy: -22.807 bonds (distance) P-C4' energy: -25.428 flat angles C4'-P-C4' energy: -23.837 flat angles P-C4'-P energy: -21.059 tors. eta vs tors. theta energy: -37.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -394.485319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.485319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.485319 (E_RNA) where: Base-Base interactions energy: -270.000 where: short stacking energy: -113.947 Base-Backbone interact. energy: -0.268 local terms energy: -124.217279 where: bonds (distance) C4'-P energy: -21.724 bonds (distance) P-C4' energy: -22.979 flat angles C4'-P-C4' energy: -26.184 flat angles P-C4'-P energy: -17.392 tors. eta vs tors. theta energy: -35.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -381.807640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.807640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.807640 (E_RNA) where: Base-Base interactions energy: -262.450 where: short stacking energy: -117.335 Base-Backbone interact. energy: 0.601 local terms energy: -119.958373 where: bonds (distance) C4'-P energy: -21.819 bonds (distance) P-C4' energy: -25.515 flat angles C4'-P-C4' energy: -24.859 flat angles P-C4'-P energy: -15.498 tors. eta vs tors. theta energy: -32.268 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: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -348.572233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.572233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.572233 (E_RNA) where: Base-Base interactions energy: -236.029 where: short stacking energy: -118.685 Base-Backbone interact. energy: -0.219 local terms energy: -112.324498 where: bonds (distance) C4'-P energy: -17.491 bonds (distance) P-C4' energy: -12.264 flat angles C4'-P-C4' energy: -24.021 flat angles P-C4'-P energy: -21.709 tors. eta vs tors. theta energy: -36.840 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: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -342.846207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.846207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.846207 (E_RNA) where: Base-Base interactions energy: -232.210 where: short stacking energy: -101.041 Base-Backbone interact. energy: -0.408 local terms energy: -110.228388 where: bonds (distance) C4'-P energy: -22.832 bonds (distance) P-C4' energy: -26.173 flat angles C4'-P-C4' energy: -19.156 flat angles P-C4'-P energy: -13.575 tors. eta vs tors. theta energy: -28.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -291.465144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.465144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.465144 (E_RNA) where: Base-Base interactions energy: -196.180 where: short stacking energy: -93.653 Base-Backbone interact. energy: -0.196 local terms energy: -95.089143 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -25.536 flat angles C4'-P-C4' energy: -24.897 flat angles P-C4'-P energy: -15.938 tors. eta vs tors. theta energy: -14.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -309.251809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.251809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.251809 (E_RNA) where: Base-Base interactions energy: -197.885 where: short stacking energy: -99.917 Base-Backbone interact. energy: -0.322 local terms energy: -111.044770 where: bonds (distance) C4'-P energy: -21.630 bonds (distance) P-C4' energy: -23.884 flat angles C4'-P-C4' energy: -24.151 flat angles P-C4'-P energy: -15.749 tors. eta vs tors. theta energy: -25.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -223.570726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.570726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.570726 (E_RNA) where: Base-Base interactions energy: -138.778 where: short stacking energy: -68.172 Base-Backbone interact. energy: -0.545 local terms energy: -84.247211 where: bonds (distance) C4'-P energy: -19.274 bonds (distance) P-C4' energy: -24.360 flat angles C4'-P-C4' energy: -22.505 flat angles P-C4'-P energy: -9.547 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: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -193.177677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.177677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.177677 (E_RNA) where: Base-Base interactions energy: -113.415 where: short stacking energy: -57.118 Base-Backbone interact. energy: 0.317 local terms energy: -80.080202 where: bonds (distance) C4'-P energy: -21.082 bonds (distance) P-C4' energy: -22.273 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -13.052 tors. eta vs tors. theta energy: -9.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -167.982666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.982666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.982666 (E_RNA) where: Base-Base interactions energy: -84.599 where: short stacking energy: -40.745 Base-Backbone interact. energy: -0.924 local terms energy: -82.458843 where: bonds (distance) C4'-P energy: -20.331 bonds (distance) P-C4' energy: -17.398 flat angles C4'-P-C4' energy: -26.017 flat angles P-C4'-P energy: -16.325 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -414.856914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.856914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.856914 (E_RNA) where: Base-Base interactions energy: -278.853 where: short stacking energy: -119.157 Base-Backbone interact. energy: 0.484 local terms energy: -136.488567 where: bonds (distance) C4'-P energy: -25.148 bonds (distance) P-C4' energy: -28.125 flat angles C4'-P-C4' energy: -27.366 flat angles P-C4'-P energy: -19.881 tors. eta vs tors. theta energy: -35.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -401.736830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.736830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.736830 (E_RNA) where: Base-Base interactions energy: -273.971 where: short stacking energy: -117.898 Base-Backbone interact. energy: -1.320 local terms energy: -126.445675 where: bonds (distance) C4'-P energy: -24.608 bonds (distance) P-C4' energy: -22.374 flat angles C4'-P-C4' energy: -26.017 flat angles P-C4'-P energy: -19.309 tors. eta vs tors. theta energy: -34.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -397.969964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.969964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.969964 (E_RNA) where: Base-Base interactions energy: -269.840 where: short stacking energy: -112.885 Base-Backbone interact. energy: -0.160 local terms energy: -127.970820 where: bonds (distance) C4'-P energy: -27.358 bonds (distance) P-C4' energy: -25.208 flat angles C4'-P-C4' energy: -25.843 flat angles P-C4'-P energy: -14.580 tors. eta vs tors. theta energy: -34.982 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: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -354.167928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.167928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.167928 (E_RNA) where: Base-Base interactions energy: -237.164 where: short stacking energy: -118.586 Base-Backbone interact. energy: -0.784 local terms energy: -116.220135 where: bonds (distance) C4'-P energy: -20.047 bonds (distance) P-C4' energy: -21.970 flat angles C4'-P-C4' energy: -28.059 flat angles P-C4'-P energy: -17.372 tors. eta vs tors. theta energy: -28.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -340.043977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.043977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.043977 (E_RNA) where: Base-Base interactions energy: -227.471 where: short stacking energy: -99.492 Base-Backbone interact. energy: -0.091 local terms energy: -112.482022 where: bonds (distance) C4'-P energy: -24.421 bonds (distance) P-C4' energy: -15.134 flat angles C4'-P-C4' energy: -24.705 flat angles P-C4'-P energy: -14.906 tors. eta vs tors. theta energy: -33.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -302.496230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.496230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.496230 (E_RNA) where: Base-Base interactions energy: -206.405 where: short stacking energy: -92.290 Base-Backbone interact. energy: -0.258 local terms energy: -95.833829 where: bonds (distance) C4'-P energy: -19.876 bonds (distance) P-C4' energy: -23.114 flat angles C4'-P-C4' energy: -25.862 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -17.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -292.141839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.141839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.141839 (E_RNA) where: Base-Base interactions energy: -191.130 where: short stacking energy: -88.870 Base-Backbone interact. energy: -1.069 local terms energy: -99.943241 where: bonds (distance) C4'-P energy: -16.933 bonds (distance) P-C4' energy: -18.723 flat angles C4'-P-C4' energy: -20.748 flat angles P-C4'-P energy: -19.448 tors. eta vs tors. theta energy: -24.091 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: 8, replica: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -210.313287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.313287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.313287 (E_RNA) where: Base-Base interactions energy: -113.648 where: short stacking energy: -51.611 Base-Backbone interact. energy: -0.923 local terms energy: -95.742441 where: bonds (distance) C4'-P energy: -26.802 bonds (distance) P-C4' energy: -25.865 flat angles C4'-P-C4' energy: -20.067 flat angles P-C4'-P energy: -18.139 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -183.732756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.732756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.732756 (E_RNA) where: Base-Base interactions energy: -97.943 where: short stacking energy: -55.187 Base-Backbone interact. energy: -0.210 local terms energy: -85.579575 where: bonds (distance) C4'-P energy: -14.801 bonds (distance) P-C4' energy: -23.452 flat angles C4'-P-C4' energy: -22.753 flat angles P-C4'-P energy: -15.049 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: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -159.638572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.638572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.638572 (E_RNA) where: Base-Base interactions energy: -81.375 where: short stacking energy: -36.893 Base-Backbone interact. energy: -0.582 local terms energy: -77.680839 where: bonds (distance) C4'-P energy: -16.126 bonds (distance) P-C4' energy: -22.042 flat angles C4'-P-C4' energy: -23.069 flat angles P-C4'-P energy: -15.378 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: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -408.615159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.615159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.615159 (E_RNA) where: Base-Base interactions energy: -278.043 where: short stacking energy: -113.344 Base-Backbone interact. energy: -0.241 local terms energy: -130.330298 where: bonds (distance) C4'-P energy: -22.654 bonds (distance) P-C4' energy: -27.459 flat angles C4'-P-C4' energy: -28.445 flat angles P-C4'-P energy: -16.538 tors. eta vs tors. theta energy: -35.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -403.142140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.142140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.142140 (E_RNA) where: Base-Base interactions energy: -274.646 where: short stacking energy: -113.978 Base-Backbone interact. energy: -0.009 local terms energy: -128.487620 where: bonds (distance) C4'-P energy: -23.995 bonds (distance) P-C4' energy: -25.758 flat angles C4'-P-C4' energy: -26.803 flat angles P-C4'-P energy: -17.707 tors. eta vs tors. theta energy: -34.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -388.831001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.831001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.831001 (E_RNA) where: Base-Base interactions energy: -258.741 where: short stacking energy: -115.094 Base-Backbone interact. energy: -0.180 local terms energy: -129.909975 where: bonds (distance) C4'-P energy: -24.264 bonds (distance) P-C4' energy: -23.139 flat angles C4'-P-C4' energy: -26.615 flat angles P-C4'-P energy: -17.752 tors. eta vs tors. theta energy: -38.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -357.446714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.446714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.446714 (E_RNA) where: Base-Base interactions energy: -238.314 where: short stacking energy: -108.691 Base-Backbone interact. energy: -0.696 local terms energy: -118.436545 where: bonds (distance) C4'-P energy: -24.261 bonds (distance) P-C4' energy: -23.205 flat angles C4'-P-C4' energy: -25.657 flat angles P-C4'-P energy: -18.587 tors. eta vs tors. theta energy: -26.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -350.664164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.664164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.664164 (E_RNA) where: Base-Base interactions energy: -234.234 where: short stacking energy: -115.495 Base-Backbone interact. energy: -0.104 local terms energy: -116.325725 where: bonds (distance) C4'-P energy: -22.911 bonds (distance) P-C4' energy: -20.809 flat angles C4'-P-C4' energy: -23.940 flat angles P-C4'-P energy: -14.794 tors. eta vs tors. theta energy: -33.872 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: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -300.832083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.832083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.832083 (E_RNA) where: Base-Base interactions energy: -203.382 where: short stacking energy: -87.916 Base-Backbone interact. energy: -0.520 local terms energy: -96.930550 where: bonds (distance) C4'-P energy: -20.873 bonds (distance) P-C4' energy: -23.573 flat angles C4'-P-C4' energy: -23.992 flat angles P-C4'-P energy: -15.651 tors. eta vs tors. theta energy: -12.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -306.357056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.357056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.357056 (E_RNA) where: Base-Base interactions energy: -202.586 where: short stacking energy: -92.266 Base-Backbone interact. energy: 0.893 local terms energy: -104.664648 where: bonds (distance) C4'-P energy: -22.202 bonds (distance) P-C4' energy: -20.364 flat angles C4'-P-C4' energy: -20.632 flat angles P-C4'-P energy: -16.687 tors. eta vs tors. theta energy: -24.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -200.642449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.642449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.642449 (E_RNA) where: Base-Base interactions energy: -127.762 where: short stacking energy: -64.251 Base-Backbone interact. energy: 2.600 local terms energy: -75.480678 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -21.208 flat angles C4'-P-C4' energy: -22.148 flat angles P-C4'-P energy: -13.649 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -204.056002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.056002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.056002 (E_RNA) where: Base-Base interactions energy: -126.585 where: short stacking energy: -60.301 Base-Backbone interact. energy: -0.165 local terms energy: -77.305572 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -20.503 flat angles C4'-P-C4' energy: -17.865 flat angles P-C4'-P energy: -16.841 tors. eta vs tors. theta energy: -7.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -171.109725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.109725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.109725 (E_RNA) where: Base-Base interactions energy: -104.726 where: short stacking energy: -54.474 Base-Backbone interact. energy: -0.064 local terms energy: -66.319820 where: bonds (distance) C4'-P energy: -20.427 bonds (distance) P-C4' energy: -17.312 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -403.928509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.928509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.928509 (E_RNA) where: Base-Base interactions energy: -285.329 where: short stacking energy: -117.684 Base-Backbone interact. energy: -0.027 local terms energy: -118.572035 where: bonds (distance) C4'-P energy: -24.405 bonds (distance) P-C4' energy: -21.279 flat angles C4'-P-C4' energy: -22.509 flat angles P-C4'-P energy: -13.640 tors. eta vs tors. theta energy: -36.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -401.904414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.904414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.904414 (E_RNA) where: Base-Base interactions energy: -278.242 where: short stacking energy: -114.701 Base-Backbone interact. energy: -0.867 local terms energy: -122.796011 where: bonds (distance) C4'-P energy: -21.979 bonds (distance) P-C4' energy: -24.896 flat angles C4'-P-C4' energy: -26.835 flat angles P-C4'-P energy: -14.966 tors. eta vs tors. theta energy: -34.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -378.256120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.256120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.256120 (E_RNA) where: Base-Base interactions energy: -256.158 where: short stacking energy: -106.535 Base-Backbone interact. energy: -1.889 local terms energy: -120.208368 where: bonds (distance) C4'-P energy: -18.733 bonds (distance) P-C4' energy: -24.795 flat angles C4'-P-C4' energy: -25.993 flat angles P-C4'-P energy: -23.051 tors. eta vs tors. theta energy: -27.636 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: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -374.537073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.537073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.537073 (E_RNA) where: Base-Base interactions energy: -263.041 where: short stacking energy: -105.733 Base-Backbone interact. energy: -0.185 local terms energy: -111.310946 where: bonds (distance) C4'-P energy: -21.415 bonds (distance) P-C4' energy: -23.672 flat angles C4'-P-C4' energy: -19.858 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -37.177 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: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -351.771043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.771043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.771043 (E_RNA) where: Base-Base interactions energy: -229.679 where: short stacking energy: -109.477 Base-Backbone interact. energy: -0.363 local terms energy: -121.729257 where: bonds (distance) C4'-P energy: -22.446 bonds (distance) P-C4' energy: -27.432 flat angles C4'-P-C4' energy: -23.982 flat angles P-C4'-P energy: -18.795 tors. eta vs tors. theta energy: -29.074 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: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -299.664126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.664126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.664126 (E_RNA) where: Base-Base interactions energy: -201.200 where: short stacking energy: -86.041 Base-Backbone interact. energy: 0.202 local terms energy: -98.666323 where: bonds (distance) C4'-P energy: -17.221 bonds (distance) P-C4' energy: -19.808 flat angles C4'-P-C4' energy: -23.650 flat angles P-C4'-P energy: -18.725 tors. eta vs tors. theta energy: -19.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -201.960214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.960214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.960214 (E_RNA) where: Base-Base interactions energy: -110.693 where: short stacking energy: -67.096 Base-Backbone interact. energy: -0.231 local terms energy: -91.036012 where: bonds (distance) C4'-P energy: -24.017 bonds (distance) P-C4' energy: -23.983 flat angles C4'-P-C4' energy: -20.831 flat angles P-C4'-P energy: -14.004 tors. eta vs tors. theta energy: -8.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -302.295943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.295943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.295943 (E_RNA) where: Base-Base interactions energy: -194.078 where: short stacking energy: -90.009 Base-Backbone interact. energy: -0.479 local terms energy: -107.739159 where: bonds (distance) C4'-P energy: -14.917 bonds (distance) P-C4' energy: -25.168 flat angles C4'-P-C4' energy: -25.223 flat angles P-C4'-P energy: -18.084 tors. eta vs tors. theta energy: -24.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -200.539025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.539025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.539025 (E_RNA) where: Base-Base interactions energy: -111.665 where: short stacking energy: -58.230 Base-Backbone interact. energy: -0.694 local terms energy: -88.179202 where: bonds (distance) C4'-P energy: -18.716 bonds (distance) P-C4' energy: -20.509 flat angles C4'-P-C4' energy: -22.245 flat angles P-C4'-P energy: -17.448 tors. eta vs tors. theta energy: -9.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -161.232979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.232979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.232979 (E_RNA) where: Base-Base interactions energy: -88.633 where: short stacking energy: -43.545 Base-Backbone interact. energy: -0.176 local terms energy: -72.423901 where: bonds (distance) C4'-P energy: -17.861 bonds (distance) P-C4' energy: -23.257 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -15.344 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -401.153974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.153974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.153974 (E_RNA) where: Base-Base interactions energy: -275.410 where: short stacking energy: -116.088 Base-Backbone interact. energy: -0.481 local terms energy: -125.262944 where: bonds (distance) C4'-P energy: -24.532 bonds (distance) P-C4' energy: -25.306 flat angles C4'-P-C4' energy: -23.785 flat angles P-C4'-P energy: -19.870 tors. eta vs tors. theta energy: -31.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -391.061975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.061975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.061975 (E_RNA) where: Base-Base interactions energy: -258.513 where: short stacking energy: -112.713 Base-Backbone interact. energy: -0.389 local terms energy: -132.159255 where: bonds (distance) C4'-P energy: -23.163 bonds (distance) P-C4' energy: -26.315 flat angles C4'-P-C4' energy: -26.581 flat angles P-C4'-P energy: -20.440 tors. eta vs tors. theta energy: -35.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -407.235952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.235952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.235952 (E_RNA) where: Base-Base interactions energy: -284.400 where: short stacking energy: -119.226 Base-Backbone interact. energy: -0.062 local terms energy: -122.774785 where: bonds (distance) C4'-P energy: -24.422 bonds (distance) P-C4' energy: -23.195 flat angles C4'-P-C4' energy: -24.460 flat angles P-C4'-P energy: -19.162 tors. eta vs tors. theta energy: -31.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -374.060877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.060877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.060877 (E_RNA) where: Base-Base interactions energy: -250.397 where: short stacking energy: -103.824 Base-Backbone interact. energy: -0.046 local terms energy: -123.618591 where: bonds (distance) C4'-P energy: -26.824 bonds (distance) P-C4' energy: -20.560 flat angles C4'-P-C4' energy: -26.993 flat angles P-C4'-P energy: -14.446 tors. eta vs tors. theta energy: -34.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -357.347952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.347952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.347952 (E_RNA) where: Base-Base interactions energy: -235.209 where: short stacking energy: -110.385 Base-Backbone interact. energy: -1.168 local terms energy: -120.970030 where: bonds (distance) C4'-P energy: -26.004 bonds (distance) P-C4' energy: -25.647 flat angles C4'-P-C4' energy: -24.576 flat angles P-C4'-P energy: -10.878 tors. eta vs tors. theta energy: -33.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -327.221642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.221642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.221642 (E_RNA) where: Base-Base interactions energy: -219.770 where: short stacking energy: -92.185 Base-Backbone interact. energy: -0.061 local terms energy: -107.390934 where: bonds (distance) C4'-P energy: -17.136 bonds (distance) P-C4' energy: -24.447 flat angles C4'-P-C4' energy: -24.013 flat angles P-C4'-P energy: -21.135 tors. eta vs tors. theta energy: -20.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -208.342769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.342769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.342769 (E_RNA) where: Base-Base interactions energy: -127.544 where: short stacking energy: -59.360 Base-Backbone interact. energy: 0.660 local terms energy: -81.457971 where: bonds (distance) C4'-P energy: -14.562 bonds (distance) P-C4' energy: -16.965 flat angles C4'-P-C4' energy: -21.252 flat angles P-C4'-P energy: -16.003 tors. eta vs tors. theta energy: -12.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -286.569707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.569707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.569707 (E_RNA) where: Base-Base interactions energy: -190.094 where: short stacking energy: -78.442 Base-Backbone interact. energy: -0.912 local terms energy: -95.563402 where: bonds (distance) C4'-P energy: -18.682 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -23.950 flat angles P-C4'-P energy: -16.530 tors. eta vs tors. theta energy: -21.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -181.125359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.125359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.125359 (E_RNA) where: Base-Base interactions energy: -94.724 where: short stacking energy: -53.817 Base-Backbone interact. energy: -0.233 local terms energy: -86.168247 where: bonds (distance) C4'-P energy: -17.425 bonds (distance) P-C4' energy: -21.638 flat angles C4'-P-C4' energy: -22.148 flat angles P-C4'-P energy: -17.298 tors. eta vs tors. theta energy: -7.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -188.883283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.883283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.883283 (E_RNA) where: Base-Base interactions energy: -105.213 where: short stacking energy: -55.951 Base-Backbone interact. energy: -0.613 local terms energy: -83.058101 where: bonds (distance) C4'-P energy: -22.304 bonds (distance) P-C4' energy: -25.258 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -15.547 tors. eta vs tors. theta energy: -6.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -387.971378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.971378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.971378 (E_RNA) where: Base-Base interactions energy: -268.739 where: short stacking energy: -120.308 Base-Backbone interact. energy: -1.003 local terms energy: -118.229900 where: bonds (distance) C4'-P energy: -22.927 bonds (distance) P-C4' energy: -25.458 flat angles C4'-P-C4' energy: -21.907 flat angles P-C4'-P energy: -13.674 tors. eta vs tors. theta energy: -34.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -398.122582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.122582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.122582 (E_RNA) where: Base-Base interactions energy: -280.850 where: short stacking energy: -123.683 Base-Backbone interact. energy: -1.596 local terms energy: -115.676787 where: bonds (distance) C4'-P energy: -23.136 bonds (distance) P-C4' energy: -23.893 flat angles C4'-P-C4' energy: -17.534 flat angles P-C4'-P energy: -16.230 tors. eta vs tors. theta energy: -34.884 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: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -392.651309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.651309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.651309 (E_RNA) where: Base-Base interactions energy: -272.520 where: short stacking energy: -119.928 Base-Backbone interact. energy: -0.411 local terms energy: -119.720402 where: bonds (distance) C4'-P energy: -26.265 bonds (distance) P-C4' energy: -24.566 flat angles C4'-P-C4' energy: -24.271 flat angles P-C4'-P energy: -16.691 tors. eta vs tors. theta energy: -27.928 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: 4, replica: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -394.743782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.743782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.743782 (E_RNA) where: Base-Base interactions energy: -273.784 where: short stacking energy: -108.714 Base-Backbone interact. energy: -0.412 local terms energy: -120.548036 where: bonds (distance) C4'-P energy: -25.166 bonds (distance) P-C4' energy: -26.090 flat angles C4'-P-C4' energy: -26.513 flat angles P-C4'-P energy: -12.345 tors. eta vs tors. theta energy: -30.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -311.539346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.539346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.539346 (E_RNA) where: Base-Base interactions energy: -217.878 where: short stacking energy: -91.754 Base-Backbone interact. energy: 2.788 local terms energy: -96.448906 where: bonds (distance) C4'-P energy: -21.850 bonds (distance) P-C4' energy: -26.051 flat angles C4'-P-C4' energy: -23.566 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -15.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -344.229417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.229417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.229417 (E_RNA) where: Base-Base interactions energy: -225.840 where: short stacking energy: -109.929 Base-Backbone interact. energy: -0.473 local terms energy: -117.916118 where: bonds (distance) C4'-P energy: -26.906 bonds (distance) P-C4' energy: -17.788 flat angles C4'-P-C4' energy: -27.106 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -34.467 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: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -238.503144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.503144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.503144 (E_RNA) where: Base-Base interactions energy: -135.966 where: short stacking energy: -78.700 Base-Backbone interact. energy: 0.185 local terms energy: -102.722309 where: bonds (distance) C4'-P energy: -20.820 bonds (distance) P-C4' energy: -24.384 flat angles C4'-P-C4' energy: -23.188 flat angles P-C4'-P energy: -16.257 tors. eta vs tors. theta energy: -18.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -202.559178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.559178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.559178 (E_RNA) where: Base-Base interactions energy: -123.494 where: short stacking energy: -61.698 Base-Backbone interact. energy: -0.583 local terms energy: -78.482079 where: bonds (distance) C4'-P energy: -21.410 bonds (distance) P-C4' energy: -18.979 flat angles C4'-P-C4' energy: -17.663 flat angles P-C4'-P energy: -9.975 tors. eta vs tors. theta energy: -10.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -180.009900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.009900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.009900 (E_RNA) where: Base-Base interactions energy: -105.352 where: short stacking energy: -64.984 Base-Backbone interact. energy: -0.229 local terms energy: -74.428787 where: bonds (distance) C4'-P energy: -18.853 bonds (distance) P-C4' energy: -21.137 flat angles C4'-P-C4' energy: -15.474 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -7.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -234.276318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.276318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.276318 (E_RNA) where: Base-Base interactions energy: -146.374 where: short stacking energy: -71.450 Base-Backbone interact. energy: -0.050 local terms energy: -87.852770 where: bonds (distance) C4'-P energy: -17.427 bonds (distance) P-C4' energy: -24.164 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -14.182 tors. eta vs tors. theta energy: -17.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -401.383956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.383956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.383956 (E_RNA) where: Base-Base interactions energy: -285.210 where: short stacking energy: -116.865 Base-Backbone interact. energy: -0.677 local terms energy: -115.496387 where: bonds (distance) C4'-P energy: -18.733 bonds (distance) P-C4' energy: -28.520 flat angles C4'-P-C4' energy: -24.818 flat angles P-C4'-P energy: -15.731 tors. eta vs tors. theta energy: -27.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -402.606881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.606881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.606881 (E_RNA) where: Base-Base interactions energy: -273.058 where: short stacking energy: -121.679 Base-Backbone interact. energy: 0.295 local terms energy: -129.844044 where: bonds (distance) C4'-P energy: -26.004 bonds (distance) P-C4' energy: -27.139 flat angles C4'-P-C4' energy: -28.802 flat angles P-C4'-P energy: -17.556 tors. eta vs tors. theta energy: -30.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -398.501721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.501721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.501721 (E_RNA) where: Base-Base interactions energy: -267.924 where: short stacking energy: -115.111 Base-Backbone interact. energy: -0.551 local terms energy: -130.027419 where: bonds (distance) C4'-P energy: -24.169 bonds (distance) P-C4' energy: -25.417 flat angles C4'-P-C4' energy: -25.758 flat angles P-C4'-P energy: -20.356 tors. eta vs tors. theta energy: -34.326 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: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -383.342009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.342009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.342009 (E_RNA) where: Base-Base interactions energy: -260.364 where: short stacking energy: -102.296 Base-Backbone interact. energy: -0.629 local terms energy: -122.348655 where: bonds (distance) C4'-P energy: -21.175 bonds (distance) P-C4' energy: -27.509 flat angles C4'-P-C4' energy: -27.256 flat angles P-C4'-P energy: -14.481 tors. eta vs tors. theta energy: -31.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -314.868909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.868909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.868909 (E_RNA) where: Base-Base interactions energy: -208.326 where: short stacking energy: -91.136 Base-Backbone interact. energy: -0.227 local terms energy: -106.315987 where: bonds (distance) C4'-P energy: -18.354 bonds (distance) P-C4' energy: -26.308 flat angles C4'-P-C4' energy: -24.611 flat angles P-C4'-P energy: -19.467 tors. eta vs tors. theta energy: -17.576 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: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -339.580089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.580089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.580089 (E_RNA) where: Base-Base interactions energy: -216.449 where: short stacking energy: -101.942 Base-Backbone interact. energy: -0.153 local terms energy: -122.978752 where: bonds (distance) C4'-P energy: -26.430 bonds (distance) P-C4' energy: -21.690 flat angles C4'-P-C4' energy: -25.764 flat angles P-C4'-P energy: -17.904 tors. eta vs tors. theta energy: -31.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -229.616559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.616559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.616559 (E_RNA) where: Base-Base interactions energy: -135.707 where: short stacking energy: -65.615 Base-Backbone interact. energy: 0.354 local terms energy: -94.263722 where: bonds (distance) C4'-P energy: -18.228 bonds (distance) P-C4' energy: -19.608 flat angles C4'-P-C4' energy: -22.102 flat angles P-C4'-P energy: -18.274 tors. eta vs tors. theta energy: -16.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -243.915579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.915579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.915579 (E_RNA) where: Base-Base interactions energy: -147.586 where: short stacking energy: -80.668 Base-Backbone interact. energy: -0.233 local terms energy: -96.096684 where: bonds (distance) C4'-P energy: -18.080 bonds (distance) P-C4' energy: -22.003 flat angles C4'-P-C4' energy: -22.650 flat angles P-C4'-P energy: -17.729 tors. eta vs tors. theta energy: -15.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -191.204994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.204994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.204994 (E_RNA) where: Base-Base interactions energy: -107.385 where: short stacking energy: -58.476 Base-Backbone interact. energy: 1.415 local terms energy: -85.235584 where: bonds (distance) C4'-P energy: -20.299 bonds (distance) P-C4' energy: -23.598 flat angles C4'-P-C4' energy: -18.242 flat angles P-C4'-P energy: -14.020 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: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -195.845613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.845613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.845613 (E_RNA) where: Base-Base interactions energy: -108.571 where: short stacking energy: -59.762 Base-Backbone interact. energy: -1.035 local terms energy: -86.240379 where: bonds (distance) C4'-P energy: -19.843 bonds (distance) P-C4' energy: -27.109 flat angles C4'-P-C4' energy: -19.556 flat angles P-C4'-P energy: -14.410 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -409.209007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.209007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.209007 (E_RNA) where: Base-Base interactions energy: -275.646 where: short stacking energy: -124.161 Base-Backbone interact. energy: -0.227 local terms energy: -133.335643 where: bonds (distance) C4'-P energy: -28.657 bonds (distance) P-C4' energy: -27.008 flat angles C4'-P-C4' energy: -19.043 flat angles P-C4'-P energy: -21.696 tors. eta vs tors. theta energy: -36.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -396.896327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.896327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.896327 (E_RNA) where: Base-Base interactions energy: -279.094 where: short stacking energy: -118.340 Base-Backbone interact. energy: -0.453 local terms energy: -117.349133 where: bonds (distance) C4'-P energy: -19.984 bonds (distance) P-C4' energy: -22.462 flat angles C4'-P-C4' energy: -26.949 flat angles P-C4'-P energy: -18.689 tors. eta vs tors. theta energy: -29.266 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: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -386.969416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.969416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.969416 (E_RNA) where: Base-Base interactions energy: -267.199 where: short stacking energy: -104.124 Base-Backbone interact. energy: -0.660 local terms energy: -119.109942 where: bonds (distance) C4'-P energy: -24.377 bonds (distance) P-C4' energy: -21.414 flat angles C4'-P-C4' energy: -25.783 flat angles P-C4'-P energy: -16.990 tors. eta vs tors. theta energy: -30.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -375.171192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.171192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.171192 (E_RNA) where: Base-Base interactions energy: -263.371 where: short stacking energy: -110.671 Base-Backbone interact. energy: -0.006 local terms energy: -111.793862 where: bonds (distance) C4'-P energy: -16.953 bonds (distance) P-C4' energy: -23.913 flat angles C4'-P-C4' energy: -20.144 flat angles P-C4'-P energy: -19.970 tors. eta vs tors. theta energy: -30.814 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: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -339.912899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.912899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.912899 (E_RNA) where: Base-Base interactions energy: -229.274 where: short stacking energy: -119.679 Base-Backbone interact. energy: -0.088 local terms energy: -110.551482 where: bonds (distance) C4'-P energy: -23.469 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -23.825 flat angles P-C4'-P energy: -13.627 tors. eta vs tors. theta energy: -33.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -315.314956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.314956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.314956 (E_RNA) where: Base-Base interactions energy: -223.084 where: short stacking energy: -102.037 Base-Backbone interact. energy: -0.406 local terms energy: -91.824742 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -21.244 flat angles C4'-P-C4' energy: -25.036 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -21.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -224.073679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.073679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.073679 (E_RNA) where: Base-Base interactions energy: -134.412 where: short stacking energy: -85.851 Base-Backbone interact. energy: -0.092 local terms energy: -89.568966 where: bonds (distance) C4'-P energy: -21.571 bonds (distance) P-C4' energy: -20.006 flat angles C4'-P-C4' energy: -20.525 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -18.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -198.856932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.856932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.856932 (E_RNA) where: Base-Base interactions energy: -120.150 where: short stacking energy: -56.953 Base-Backbone interact. energy: -0.755 local terms energy: -77.951747 where: bonds (distance) C4'-P energy: -17.130 bonds (distance) P-C4' energy: -17.874 flat angles C4'-P-C4' energy: -21.385 flat angles P-C4'-P energy: -12.469 tors. eta vs tors. theta energy: -9.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -214.880453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.880453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.880453 (E_RNA) where: Base-Base interactions energy: -133.057 where: short stacking energy: -66.103 Base-Backbone interact. energy: -0.424 local terms energy: -81.398669 where: bonds (distance) C4'-P energy: -21.220 bonds (distance) P-C4' energy: -24.026 flat angles C4'-P-C4' energy: -21.693 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -181.745325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.745325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.745325 (E_RNA) where: Base-Base interactions energy: -95.123 where: short stacking energy: -53.966 Base-Backbone interact. energy: -0.920 local terms energy: -85.702273 where: bonds (distance) C4'-P energy: -22.498 bonds (distance) P-C4' energy: -23.862 flat angles C4'-P-C4' energy: -18.200 flat angles P-C4'-P energy: -12.197 tors. eta vs tors. theta energy: -8.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -407.081185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.081185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.081185 (E_RNA) where: Base-Base interactions energy: -272.959 where: short stacking energy: -114.131 Base-Backbone interact. energy: -0.559 local terms energy: -133.563424 where: bonds (distance) C4'-P energy: -26.824 bonds (distance) P-C4' energy: -24.056 flat angles C4'-P-C4' energy: -26.059 flat angles P-C4'-P energy: -17.748 tors. eta vs tors. theta energy: -38.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -382.894819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.894819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.894819 (E_RNA) where: Base-Base interactions energy: -262.788 where: short stacking energy: -100.359 Base-Backbone interact. energy: -0.617 local terms energy: -119.489807 where: bonds (distance) C4'-P energy: -26.651 bonds (distance) P-C4' energy: -23.817 flat angles C4'-P-C4' energy: -24.029 flat angles P-C4'-P energy: -15.936 tors. eta vs tors. theta energy: -29.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -387.197115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.197115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.197115 (E_RNA) where: Base-Base interactions energy: -266.659 where: short stacking energy: -112.489 Base-Backbone interact. energy: -0.735 local terms energy: -119.802826 where: bonds (distance) C4'-P energy: -22.414 bonds (distance) P-C4' energy: -25.070 flat angles C4'-P-C4' energy: -25.140 flat angles P-C4'-P energy: -18.733 tors. eta vs tors. theta energy: -28.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -348.506975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.506975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.506975 (E_RNA) where: Base-Base interactions energy: -224.364 where: short stacking energy: -109.066 Base-Backbone interact. energy: -0.259 local terms energy: -123.883452 where: bonds (distance) C4'-P energy: -21.946 bonds (distance) P-C4' energy: -23.335 flat angles C4'-P-C4' energy: -24.899 flat angles P-C4'-P energy: -20.407 tors. eta vs tors. theta energy: -33.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -356.091338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.091338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.091338 (E_RNA) where: Base-Base interactions energy: -243.783 where: short stacking energy: -112.649 Base-Backbone interact. energy: -1.716 local terms energy: -110.591796 where: bonds (distance) C4'-P energy: -17.289 bonds (distance) P-C4' energy: -21.250 flat angles C4'-P-C4' energy: -26.290 flat angles P-C4'-P energy: -20.295 tors. eta vs tors. theta energy: -25.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -324.398200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.398200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.398200 (E_RNA) where: Base-Base interactions energy: -226.068 where: short stacking energy: -99.679 Base-Backbone interact. energy: 2.691 local terms energy: -101.021478 where: bonds (distance) C4'-P energy: -15.372 bonds (distance) P-C4' energy: -18.201 flat angles C4'-P-C4' energy: -21.675 flat angles P-C4'-P energy: -19.086 tors. eta vs tors. theta energy: -26.687 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: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -246.923449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.923449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.923449 (E_RNA) where: Base-Base interactions energy: -159.320 where: short stacking energy: -87.144 Base-Backbone interact. energy: -0.417 local terms energy: -87.186355 where: bonds (distance) C4'-P energy: -11.625 bonds (distance) P-C4' energy: -22.916 flat angles C4'-P-C4' energy: -20.520 flat angles P-C4'-P energy: -13.139 tors. eta vs tors. theta energy: -18.987 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: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -220.512748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.512748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.512748 (E_RNA) where: Base-Base interactions energy: -140.518 where: short stacking energy: -67.344 Base-Backbone interact. energy: -1.140 local terms energy: -78.854601 where: bonds (distance) C4'-P energy: -16.780 bonds (distance) P-C4' energy: -24.493 flat angles C4'-P-C4' energy: -20.543 flat angles P-C4'-P energy: -10.047 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -186.287881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.287881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.287881 (E_RNA) where: Base-Base interactions energy: -105.617 where: short stacking energy: -58.198 Base-Backbone interact. energy: -0.376 local terms energy: -80.294677 where: bonds (distance) C4'-P energy: -19.574 bonds (distance) P-C4' energy: -23.485 flat angles C4'-P-C4' energy: -19.187 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -9.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -173.521087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.521087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.521087 (E_RNA) where: Base-Base interactions energy: -110.237 where: short stacking energy: -49.125 Base-Backbone interact. energy: -0.519 local terms energy: -62.765292 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -22.622 flat angles C4'-P-C4' energy: -21.044 flat angles P-C4'-P energy: -9.319 tors. eta vs tors. theta energy: 2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -403.813219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.813219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.813219 (E_RNA) where: Base-Base interactions energy: -272.571 where: short stacking energy: -116.381 Base-Backbone interact. energy: -0.904 local terms energy: -130.338088 where: bonds (distance) C4'-P energy: -26.638 bonds (distance) P-C4' energy: -23.087 flat angles C4'-P-C4' energy: -22.221 flat angles P-C4'-P energy: -20.992 tors. eta vs tors. theta energy: -37.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -369.115618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.115618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.115618 (E_RNA) where: Base-Base interactions energy: -262.899 where: short stacking energy: -103.819 Base-Backbone interact. energy: -1.057 local terms energy: -105.159614 where: bonds (distance) C4'-P energy: -18.692 bonds (distance) P-C4' energy: -23.226 flat angles C4'-P-C4' energy: -25.459 flat angles P-C4'-P energy: -16.306 tors. eta vs tors. theta energy: -21.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -368.442487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.442487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.442487 (E_RNA) where: Base-Base interactions energy: -252.471 where: short stacking energy: -106.673 Base-Backbone interact. energy: -0.213 local terms energy: -115.758634 where: bonds (distance) C4'-P energy: -22.638 bonds (distance) P-C4' energy: -21.813 flat angles C4'-P-C4' energy: -23.078 flat angles P-C4'-P energy: -15.903 tors. eta vs tors. theta energy: -32.327 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: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -346.287047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.287047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.287047 (E_RNA) where: Base-Base interactions energy: -223.963 where: short stacking energy: -115.024 Base-Backbone interact. energy: -0.083 local terms energy: -122.241370 where: bonds (distance) C4'-P energy: -24.480 bonds (distance) P-C4' energy: -25.906 flat angles C4'-P-C4' energy: -24.661 flat angles P-C4'-P energy: -18.550 tors. eta vs tors. theta energy: -28.643 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: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -356.630111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.630111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.630111 (E_RNA) where: Base-Base interactions energy: -232.425 where: short stacking energy: -99.426 Base-Backbone interact. energy: -0.786 local terms energy: -123.419292 where: bonds (distance) C4'-P energy: -22.625 bonds (distance) P-C4' energy: -26.783 flat angles C4'-P-C4' energy: -27.715 flat angles P-C4'-P energy: -15.934 tors. eta vs tors. theta energy: -30.362 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: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -300.392139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.392139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.392139 (E_RNA) where: Base-Base interactions energy: -207.788 where: short stacking energy: -91.156 Base-Backbone interact. energy: -0.389 local terms energy: -92.215319 where: bonds (distance) C4'-P energy: -20.999 bonds (distance) P-C4' energy: -22.624 flat angles C4'-P-C4' energy: -21.034 flat angles P-C4'-P energy: -14.275 tors. eta vs tors. theta energy: -13.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -234.047592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.047592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.047592 (E_RNA) where: Base-Base interactions energy: -139.571 where: short stacking energy: -66.611 Base-Backbone interact. energy: -0.266 local terms energy: -94.210246 where: bonds (distance) C4'-P energy: -17.185 bonds (distance) P-C4' energy: -25.401 flat angles C4'-P-C4' energy: -23.694 flat angles P-C4'-P energy: -12.378 tors. eta vs tors. theta energy: -15.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -238.089634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.089634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.089634 (E_RNA) where: Base-Base interactions energy: -150.601 where: short stacking energy: -68.430 Base-Backbone interact. energy: -0.495 local terms energy: -86.993244 where: bonds (distance) C4'-P energy: -21.747 bonds (distance) P-C4' energy: -19.967 flat angles C4'-P-C4' energy: -21.634 flat angles P-C4'-P energy: -9.738 tors. eta vs tors. theta energy: -13.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -195.438453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.438453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.438453 (E_RNA) where: Base-Base interactions energy: -110.406 where: short stacking energy: -56.186 Base-Backbone interact. energy: -0.241 local terms energy: -84.791563 where: bonds (distance) C4'-P energy: -21.115 bonds (distance) P-C4' energy: -21.555 flat angles C4'-P-C4' energy: -24.767 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -10.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -168.958400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.958400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.958400 (E_RNA) where: Base-Base interactions energy: -95.405 where: short stacking energy: -51.645 Base-Backbone interact. energy: 0.179 local terms energy: -73.731826 where: bonds (distance) C4'-P energy: -15.181 bonds (distance) P-C4' energy: -22.705 flat angles C4'-P-C4' energy: -18.608 flat angles P-C4'-P energy: -11.669 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -407.421343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.421343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.421343 (E_RNA) where: Base-Base interactions energy: -274.338 where: short stacking energy: -125.092 Base-Backbone interact. energy: -1.144 local terms energy: -131.939526 where: bonds (distance) C4'-P energy: -23.941 bonds (distance) P-C4' energy: -23.276 flat angles C4'-P-C4' energy: -25.445 flat angles P-C4'-P energy: -21.606 tors. eta vs tors. theta energy: -37.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -377.410954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.410954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.410954 (E_RNA) where: Base-Base interactions energy: -256.210 where: short stacking energy: -108.334 Base-Backbone interact. energy: -0.109 local terms energy: -121.091953 where: bonds (distance) C4'-P energy: -23.126 bonds (distance) P-C4' energy: -26.477 flat angles C4'-P-C4' energy: -25.555 flat angles P-C4'-P energy: -12.248 tors. eta vs tors. theta energy: -33.687 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: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -362.556160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.556160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.556160 (E_RNA) where: Base-Base interactions energy: -251.408 where: short stacking energy: -105.000 Base-Backbone interact. energy: -0.207 local terms energy: -110.940366 where: bonds (distance) C4'-P energy: -22.013 bonds (distance) P-C4' energy: -23.401 flat angles C4'-P-C4' energy: -21.513 flat angles P-C4'-P energy: -15.204 tors. eta vs tors. theta energy: -28.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -360.257627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.257627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.257627 (E_RNA) where: Base-Base interactions energy: -247.501 where: short stacking energy: -101.104 Base-Backbone interact. energy: -0.400 local terms energy: -112.356137 where: bonds (distance) C4'-P energy: -23.656 bonds (distance) P-C4' energy: -22.413 flat angles C4'-P-C4' energy: -23.328 flat angles P-C4'-P energy: -15.865 tors. eta vs tors. theta energy: -27.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -344.096825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.096825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.096825 (E_RNA) where: Base-Base interactions energy: -223.116 where: short stacking energy: -107.375 Base-Backbone interact. energy: -0.084 local terms energy: -120.897171 where: bonds (distance) C4'-P energy: -23.880 bonds (distance) P-C4' energy: -27.088 flat angles C4'-P-C4' energy: -20.502 flat angles P-C4'-P energy: -15.365 tors. eta vs tors. theta energy: -34.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -253.338647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.338647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.338647 (E_RNA) where: Base-Base interactions energy: -160.777 where: short stacking energy: -75.630 Base-Backbone interact. energy: -0.545 local terms energy: -92.017072 where: bonds (distance) C4'-P energy: -21.123 bonds (distance) P-C4' energy: -17.266 flat angles C4'-P-C4' energy: -18.717 flat angles P-C4'-P energy: -17.621 tors. eta vs tors. theta energy: -17.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -297.839809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.839809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.839809 (E_RNA) where: Base-Base interactions energy: -204.624 where: short stacking energy: -86.364 Base-Backbone interact. energy: -0.170 local terms energy: -93.045785 where: bonds (distance) C4'-P energy: -22.895 bonds (distance) P-C4' energy: -22.619 flat angles C4'-P-C4' energy: -16.241 flat angles P-C4'-P energy: -17.161 tors. eta vs tors. theta energy: -14.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -198.316305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.316305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.316305 (E_RNA) where: Base-Base interactions energy: -106.913 where: short stacking energy: -52.998 Base-Backbone interact. energy: -1.303 local terms energy: -90.100199 where: bonds (distance) C4'-P energy: -19.520 bonds (distance) P-C4' energy: -25.965 flat angles C4'-P-C4' energy: -21.874 flat angles P-C4'-P energy: -20.500 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -239.268196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.268196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.268196 (E_RNA) where: Base-Base interactions energy: -154.965 where: short stacking energy: -70.700 Base-Backbone interact. energy: -0.699 local terms energy: -83.604200 where: bonds (distance) C4'-P energy: -17.913 bonds (distance) P-C4' energy: -24.744 flat angles C4'-P-C4' energy: -16.885 flat angles P-C4'-P energy: -19.436 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -174.309911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.309911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.309911 (E_RNA) where: Base-Base interactions energy: -94.445 where: short stacking energy: -56.280 Base-Backbone interact. energy: -0.171 local terms energy: -79.693634 where: bonds (distance) C4'-P energy: -18.297 bonds (distance) P-C4' energy: -25.242 flat angles C4'-P-C4' energy: -17.883 flat angles P-C4'-P energy: -11.570 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: 1, replica: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -404.877315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.877315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.877315 (E_RNA) where: Base-Base interactions energy: -274.758 where: short stacking energy: -116.767 Base-Backbone interact. energy: -0.922 local terms energy: -129.197214 where: bonds (distance) C4'-P energy: -23.678 bonds (distance) P-C4' energy: -21.891 flat angles C4'-P-C4' energy: -30.042 flat angles P-C4'-P energy: -17.411 tors. eta vs tors. theta energy: -36.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -376.189044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.189044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.189044 (E_RNA) where: Base-Base interactions energy: -265.776 where: short stacking energy: -116.115 Base-Backbone interact. energy: -0.205 local terms energy: -110.208031 where: bonds (distance) C4'-P energy: -21.528 bonds (distance) P-C4' energy: -26.135 flat angles C4'-P-C4' energy: -22.841 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -29.780 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: 364 Temperature: 1.000000 Total energy: -363.934346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.934346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.934346 (E_RNA) where: Base-Base interactions energy: -244.498 where: short stacking energy: -106.941 Base-Backbone interact. energy: -0.439 local terms energy: -118.996465 where: bonds (distance) C4'-P energy: -21.802 bonds (distance) P-C4' energy: -18.080 flat angles C4'-P-C4' energy: -28.010 flat angles P-C4'-P energy: -19.052 tors. eta vs tors. theta energy: -32.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -362.322879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.322879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.322879 (E_RNA) where: Base-Base interactions energy: -249.346 where: short stacking energy: -121.551 Base-Backbone interact. energy: -0.291 local terms energy: -112.685143 where: bonds (distance) C4'-P energy: -17.893 bonds (distance) P-C4' energy: -16.630 flat angles C4'-P-C4' energy: -27.993 flat angles P-C4'-P energy: -14.834 tors. eta vs tors. theta energy: -35.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -330.115295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.115295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.115295 (E_RNA) where: Base-Base interactions energy: -216.427 where: short stacking energy: -101.402 Base-Backbone interact. energy: -1.009 local terms energy: -112.679223 where: bonds (distance) C4'-P energy: -19.168 bonds (distance) P-C4' energy: -20.971 flat angles C4'-P-C4' energy: -27.754 flat angles P-C4'-P energy: -14.227 tors. eta vs tors. theta energy: -30.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -250.853607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.853607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.853607 (E_RNA) where: Base-Base interactions energy: -154.500 where: short stacking energy: -87.006 Base-Backbone interact. energy: -0.394 local terms energy: -95.959970 where: bonds (distance) C4'-P energy: -20.859 bonds (distance) P-C4' energy: -24.928 flat angles C4'-P-C4' energy: -16.471 flat angles P-C4'-P energy: -13.463 tors. eta vs tors. theta energy: -20.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -298.471675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.471675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.471675 (E_RNA) where: Base-Base interactions energy: -203.854 where: short stacking energy: -81.534 Base-Backbone interact. energy: 0.257 local terms energy: -94.874474 where: bonds (distance) C4'-P energy: -21.479 bonds (distance) P-C4' energy: -19.355 flat angles C4'-P-C4' energy: -21.551 flat angles P-C4'-P energy: -13.143 tors. eta vs tors. theta energy: -19.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -195.754568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.754568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.754568 (E_RNA) where: Base-Base interactions energy: -111.573 where: short stacking energy: -57.908 Base-Backbone interact. energy: 1.253 local terms energy: -85.434114 where: bonds (distance) C4'-P energy: -20.548 bonds (distance) P-C4' energy: -25.248 flat angles C4'-P-C4' energy: -19.266 flat angles P-C4'-P energy: -13.746 tors. eta vs tors. theta energy: -6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -181.076986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.076986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.076986 (E_RNA) where: Base-Base interactions energy: -98.570 where: short stacking energy: -57.450 Base-Backbone interact. energy: -0.063 local terms energy: -82.444447 where: bonds (distance) C4'-P energy: -21.484 bonds (distance) P-C4' energy: -18.094 flat angles C4'-P-C4' energy: -24.910 flat angles P-C4'-P energy: -9.343 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: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -232.669235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.669235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.669235 (E_RNA) where: Base-Base interactions energy: -147.482 where: short stacking energy: -64.046 Base-Backbone interact. energy: -0.507 local terms energy: -84.680390 where: bonds (distance) C4'-P energy: -23.825 bonds (distance) P-C4' energy: -23.315 flat angles C4'-P-C4' energy: -22.144 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -406.297156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.297156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.297156 (E_RNA) where: Base-Base interactions energy: -280.347 where: short stacking energy: -121.438 Base-Backbone interact. energy: -0.966 local terms energy: -124.984080 where: bonds (distance) C4'-P energy: -22.670 bonds (distance) P-C4' energy: -21.067 flat angles C4'-P-C4' energy: -27.802 flat angles P-C4'-P energy: -16.626 tors. eta vs tors. theta energy: -36.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -385.493666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.493666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.493666 (E_RNA) where: Base-Base interactions energy: -255.948 where: short stacking energy: -110.559 Base-Backbone interact. energy: -0.861 local terms energy: -128.684174 where: bonds (distance) C4'-P energy: -26.160 bonds (distance) P-C4' energy: -24.805 flat angles C4'-P-C4' energy: -25.374 flat angles P-C4'-P energy: -17.486 tors. eta vs tors. theta energy: -34.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -370.309432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.309432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.309432 (E_RNA) where: Base-Base interactions energy: -262.814 where: short stacking energy: -116.722 Base-Backbone interact. energy: -0.677 local terms energy: -106.818571 where: bonds (distance) C4'-P energy: -16.863 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -27.077 flat angles P-C4'-P energy: -10.360 tors. eta vs tors. theta energy: -35.386 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: 1 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -358.962898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.962898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.962898 (E_RNA) where: Base-Base interactions energy: -250.274 where: short stacking energy: -104.997 Base-Backbone interact. energy: -0.244 local terms energy: -108.444520 where: bonds (distance) C4'-P energy: -18.635 bonds (distance) P-C4' energy: -23.230 flat angles C4'-P-C4' energy: -20.648 flat angles P-C4'-P energy: -13.335 tors. eta vs tors. theta energy: -32.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -339.606918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.606918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.606918 (E_RNA) where: Base-Base interactions energy: -233.211 where: short stacking energy: -113.908 Base-Backbone interact. energy: -1.073 local terms energy: -105.323405 where: bonds (distance) C4'-P energy: -15.669 bonds (distance) P-C4' energy: -22.574 flat angles C4'-P-C4' energy: -21.695 flat angles P-C4'-P energy: -13.776 tors. eta vs tors. theta energy: -31.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -313.951299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.951299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.951299 (E_RNA) where: Base-Base interactions energy: -224.089 where: short stacking energy: -92.701 Base-Backbone interact. energy: -1.030 local terms energy: -88.832368 where: bonds (distance) C4'-P energy: -19.518 bonds (distance) P-C4' energy: -22.704 flat angles C4'-P-C4' energy: -17.999 flat angles P-C4'-P energy: -14.511 tors. eta vs tors. theta energy: -14.100 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: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -276.208171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.208171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.208171 (E_RNA) where: Base-Base interactions energy: -177.413 where: short stacking energy: -74.058 Base-Backbone interact. energy: -0.156 local terms energy: -98.639525 where: bonds (distance) C4'-P energy: -22.303 bonds (distance) P-C4' energy: -21.428 flat angles C4'-P-C4' energy: -17.342 flat angles P-C4'-P energy: -18.869 tors. eta vs tors. theta energy: -18.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -213.436325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.436325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.436325 (E_RNA) where: Base-Base interactions energy: -121.357 where: short stacking energy: -69.739 Base-Backbone interact. energy: 0.746 local terms energy: -92.825155 where: bonds (distance) C4'-P energy: -22.350 bonds (distance) P-C4' energy: -21.400 flat angles C4'-P-C4' energy: -20.884 flat angles P-C4'-P energy: -14.275 tors. eta vs tors. theta energy: -13.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -189.903715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.903715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.903715 (E_RNA) where: Base-Base interactions energy: -102.875 where: short stacking energy: -57.278 Base-Backbone interact. energy: -0.662 local terms energy: -86.366156 where: bonds (distance) C4'-P energy: -22.916 bonds (distance) P-C4' energy: -22.526 flat angles C4'-P-C4' energy: -21.030 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -8.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -216.811572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.811572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.811572 (E_RNA) where: Base-Base interactions energy: -133.604 where: short stacking energy: -59.384 Base-Backbone interact. energy: -0.209 local terms energy: -82.998428 where: bonds (distance) C4'-P energy: -23.798 bonds (distance) P-C4' energy: -19.868 flat angles C4'-P-C4' energy: -24.402 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -11.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -412.924954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.924954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.924954 (E_RNA) where: Base-Base interactions energy: -278.495 where: short stacking energy: -128.405 Base-Backbone interact. energy: -0.895 local terms energy: -133.534759 where: bonds (distance) C4'-P energy: -23.134 bonds (distance) P-C4' energy: -24.036 flat angles C4'-P-C4' energy: -27.955 flat angles P-C4'-P energy: -19.761 tors. eta vs tors. theta energy: -38.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -396.464092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.464092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.464092 (E_RNA) where: Base-Base interactions energy: -258.845 where: short stacking energy: -127.515 Base-Backbone interact. energy: -0.580 local terms energy: -137.039102 where: bonds (distance) C4'-P energy: -23.478 bonds (distance) P-C4' energy: -27.241 flat angles C4'-P-C4' energy: -27.629 flat angles P-C4'-P energy: -21.320 tors. eta vs tors. theta energy: -37.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -362.836142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.836142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.836142 (E_RNA) where: Base-Base interactions energy: -243.179 where: short stacking energy: -106.505 Base-Backbone interact. energy: -0.023 local terms energy: -119.634619 where: bonds (distance) C4'-P energy: -22.298 bonds (distance) P-C4' energy: -24.238 flat angles C4'-P-C4' energy: -23.152 flat angles P-C4'-P energy: -16.507 tors. eta vs tors. theta energy: -33.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -352.944789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.944789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.944789 (E_RNA) where: Base-Base interactions energy: -234.689 where: short stacking energy: -111.179 Base-Backbone interact. energy: -1.289 local terms energy: -116.966968 where: bonds (distance) C4'-P energy: -20.607 bonds (distance) P-C4' energy: -26.191 flat angles C4'-P-C4' energy: -21.063 flat angles P-C4'-P energy: -18.936 tors. eta vs tors. theta energy: -30.170 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: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -328.803909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.803909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.803909 (E_RNA) where: Base-Base interactions energy: -225.579 where: short stacking energy: -98.248 Base-Backbone interact. energy: 0.546 local terms energy: -103.770933 where: bonds (distance) C4'-P energy: -16.152 bonds (distance) P-C4' energy: -22.216 flat angles C4'-P-C4' energy: -25.265 flat angles P-C4'-P energy: -19.598 tors. eta vs tors. theta energy: -20.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -326.629969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.629969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.629969 (E_RNA) where: Base-Base interactions energy: -216.419 where: short stacking energy: -109.080 Base-Backbone interact. energy: -0.012 local terms energy: -110.199583 where: bonds (distance) C4'-P energy: -22.087 bonds (distance) P-C4' energy: -18.223 flat angles C4'-P-C4' energy: -26.426 flat angles P-C4'-P energy: -15.498 tors. eta vs tors. theta energy: -27.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -274.081832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.081832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.081832 (E_RNA) where: Base-Base interactions energy: -173.533 where: short stacking energy: -78.097 Base-Backbone interact. energy: -0.829 local terms energy: -99.719098 where: bonds (distance) C4'-P energy: -23.326 bonds (distance) P-C4' energy: -21.403 flat angles C4'-P-C4' energy: -24.289 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -22.003 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: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -181.898207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.898207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.898207 (E_RNA) where: Base-Base interactions energy: -116.940 where: short stacking energy: -62.973 Base-Backbone interact. energy: 3.175 local terms energy: -68.133181 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -20.689 flat angles C4'-P-C4' energy: -20.368 flat angles P-C4'-P energy: -14.197 tors. eta vs tors. theta energy: 0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -221.102126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.102126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.102126 (E_RNA) where: Base-Base interactions energy: -147.712 where: short stacking energy: -59.670 Base-Backbone interact. energy: 4.843 local terms energy: -78.233865 where: bonds (distance) C4'-P energy: -16.829 bonds (distance) P-C4' energy: -22.107 flat angles C4'-P-C4' energy: -21.515 flat angles P-C4'-P energy: -17.044 tors. eta vs tors. theta energy: -0.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -203.922858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.922858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.922858 (E_RNA) where: Base-Base interactions energy: -122.638 where: short stacking energy: -64.688 Base-Backbone interact. energy: 0.129 local terms energy: -81.414028 where: bonds (distance) C4'-P energy: -17.362 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -17.588 flat angles P-C4'-P energy: -17.586 tors. eta vs tors. theta energy: -13.120 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: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -408.450615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.450615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.450615 (E_RNA) where: Base-Base interactions energy: -272.789 where: short stacking energy: -115.833 Base-Backbone interact. energy: -0.456 local terms energy: -135.205461 where: bonds (distance) C4'-P energy: -22.852 bonds (distance) P-C4' energy: -23.918 flat angles C4'-P-C4' energy: -27.078 flat angles P-C4'-P energy: -23.067 tors. eta vs tors. theta energy: -38.290 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: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -391.722836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.722836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.722836 (E_RNA) where: Base-Base interactions energy: -263.889 where: short stacking energy: -120.214 Base-Backbone interact. energy: -0.279 local terms energy: -127.554382 where: bonds (distance) C4'-P energy: -19.711 bonds (distance) P-C4' energy: -26.438 flat angles C4'-P-C4' energy: -26.675 flat angles P-C4'-P energy: -19.211 tors. eta vs tors. theta energy: -35.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -363.038593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.038593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.038593 (E_RNA) where: Base-Base interactions energy: -236.273 where: short stacking energy: -108.347 Base-Backbone interact. energy: -0.415 local terms energy: -126.350484 where: bonds (distance) C4'-P energy: -17.479 bonds (distance) P-C4' energy: -25.567 flat angles C4'-P-C4' energy: -27.702 flat angles P-C4'-P energy: -20.046 tors. eta vs tors. theta energy: -35.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -356.602755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.602755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.602755 (E_RNA) where: Base-Base interactions energy: -239.650 where: short stacking energy: -109.262 Base-Backbone interact. energy: -0.439 local terms energy: -116.513725 where: bonds (distance) C4'-P energy: -16.532 bonds (distance) P-C4' energy: -25.947 flat angles C4'-P-C4' energy: -21.282 flat angles P-C4'-P energy: -16.437 tors. eta vs tors. theta energy: -36.317 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: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -334.504783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.504783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.504783 (E_RNA) where: Base-Base interactions energy: -223.983 where: short stacking energy: -95.224 Base-Backbone interact. energy: -0.478 local terms energy: -110.043765 where: bonds (distance) C4'-P energy: -22.398 bonds (distance) P-C4' energy: -21.292 flat angles C4'-P-C4' energy: -25.244 flat angles P-C4'-P energy: -20.450 tors. eta vs tors. theta energy: -20.661 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: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -284.522238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.522238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.522238 (E_RNA) where: Base-Base interactions energy: -171.654 where: short stacking energy: -85.529 Base-Backbone interact. energy: -0.267 local terms energy: -112.601438 where: bonds (distance) C4'-P energy: -17.375 bonds (distance) P-C4' energy: -23.065 flat angles C4'-P-C4' energy: -23.473 flat angles P-C4'-P energy: -20.313 tors. eta vs tors. theta energy: -28.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -314.927838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.927838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.927838 (E_RNA) where: Base-Base interactions energy: -209.062 where: short stacking energy: -107.138 Base-Backbone interact. energy: -0.004 local terms energy: -105.862568 where: bonds (distance) C4'-P energy: -19.880 bonds (distance) P-C4' energy: -19.217 flat angles C4'-P-C4' energy: -23.701 flat angles P-C4'-P energy: -12.803 tors. eta vs tors. theta energy: -30.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -229.629533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.629533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.629533 (E_RNA) where: Base-Base interactions energy: -137.988 where: short stacking energy: -68.898 Base-Backbone interact. energy: -0.359 local terms energy: -91.282896 where: bonds (distance) C4'-P energy: -21.361 bonds (distance) P-C4' energy: -24.927 flat angles C4'-P-C4' energy: -22.793 flat angles P-C4'-P energy: -12.313 tors. eta vs tors. theta energy: -9.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -203.786410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.786410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.786410 (E_RNA) where: Base-Base interactions energy: -123.868 where: short stacking energy: -64.235 Base-Backbone interact. energy: -0.712 local terms energy: -79.206596 where: bonds (distance) C4'-P energy: -20.222 bonds (distance) P-C4' energy: -23.910 flat angles C4'-P-C4' energy: -18.811 flat angles P-C4'-P energy: -12.922 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: 10, replica: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -179.636689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.636689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.636689 (E_RNA) where: Base-Base interactions energy: -103.455 where: short stacking energy: -54.478 Base-Backbone interact. energy: -0.096 local terms energy: -76.085987 where: bonds (distance) C4'-P energy: -23.163 bonds (distance) P-C4' energy: -18.299 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -11.148 tors. eta vs tors. theta energy: -9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -406.691055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.691055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.691055 (E_RNA) where: Base-Base interactions energy: -274.128 where: short stacking energy: -130.550 Base-Backbone interact. energy: -0.984 local terms energy: -131.579539 where: bonds (distance) C4'-P energy: -23.034 bonds (distance) P-C4' energy: -21.811 flat angles C4'-P-C4' energy: -27.477 flat angles P-C4'-P energy: -20.669 tors. eta vs tors. theta energy: -38.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -395.913050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.913050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.913050 (E_RNA) where: Base-Base interactions energy: -265.630 where: short stacking energy: -121.184 Base-Backbone interact. energy: -0.004 local terms energy: -130.278929 where: bonds (distance) C4'-P energy: -23.354 bonds (distance) P-C4' energy: -26.828 flat angles C4'-P-C4' energy: -26.953 flat angles P-C4'-P energy: -16.894 tors. eta vs tors. theta energy: -36.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -353.669372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.669372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.669372 (E_RNA) where: Base-Base interactions energy: -234.162 where: short stacking energy: -97.611 Base-Backbone interact. energy: -1.439 local terms energy: -118.068287 where: bonds (distance) C4'-P energy: -24.149 bonds (distance) P-C4' energy: -25.613 flat angles C4'-P-C4' energy: -24.562 flat angles P-C4'-P energy: -14.816 tors. eta vs tors. theta energy: -28.929 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: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -355.125513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.125513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.125513 (E_RNA) where: Base-Base interactions energy: -246.988 where: short stacking energy: -103.392 Base-Backbone interact. energy: -0.224 local terms energy: -107.913711 where: bonds (distance) C4'-P energy: -21.544 bonds (distance) P-C4' energy: -21.222 flat angles C4'-P-C4' energy: -21.661 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -30.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -327.331707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.331707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.331707 (E_RNA) where: Base-Base interactions energy: -221.461 where: short stacking energy: -97.854 Base-Backbone interact. energy: -0.244 local terms energy: -105.626858 where: bonds (distance) C4'-P energy: -23.231 bonds (distance) P-C4' energy: -25.639 flat angles C4'-P-C4' energy: -25.975 flat angles P-C4'-P energy: -14.640 tors. eta vs tors. theta energy: -16.142 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: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -285.269622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.269622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.269622 (E_RNA) where: Base-Base interactions energy: -190.110 where: short stacking energy: -87.127 Base-Backbone interact. energy: -0.639 local terms energy: -94.520696 where: bonds (distance) C4'-P energy: -18.097 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -23.019 flat angles P-C4'-P energy: -17.222 tors. eta vs tors. theta energy: -21.261 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: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -327.254227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.254227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.254227 (E_RNA) where: Base-Base interactions energy: -219.404 where: short stacking energy: -108.473 Base-Backbone interact. energy: -0.049 local terms energy: -107.800744 where: bonds (distance) C4'-P energy: -17.981 bonds (distance) P-C4' energy: -20.164 flat angles C4'-P-C4' energy: -28.394 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -30.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -221.722506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.722506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.722506 (E_RNA) where: Base-Base interactions energy: -140.898 where: short stacking energy: -50.878 Base-Backbone interact. energy: -0.409 local terms energy: -80.415835 where: bonds (distance) C4'-P energy: -25.573 bonds (distance) P-C4' energy: -16.369 flat angles C4'-P-C4' energy: -20.498 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -7.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -226.262074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.262074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.262074 (E_RNA) where: Base-Base interactions energy: -136.496 where: short stacking energy: -63.716 Base-Backbone interact. energy: -0.723 local terms energy: -89.042884 where: bonds (distance) C4'-P energy: -16.271 bonds (distance) P-C4' energy: -24.754 flat angles C4'-P-C4' energy: -24.297 flat angles P-C4'-P energy: -14.600 tors. eta vs tors. theta energy: -9.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -176.847978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.847978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.847978 (E_RNA) where: Base-Base interactions energy: -96.517 where: short stacking energy: -55.740 Base-Backbone interact. energy: -0.591 local terms energy: -79.740398 where: bonds (distance) C4'-P energy: -20.741 bonds (distance) P-C4' energy: -24.088 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -11.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -402.705943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.705943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.705943 (E_RNA) where: Base-Base interactions energy: -275.105 where: short stacking energy: -119.432 Base-Backbone interact. energy: -1.017 local terms energy: -126.583970 where: bonds (distance) C4'-P energy: -22.451 bonds (distance) P-C4' energy: -23.450 flat angles C4'-P-C4' energy: -25.751 flat angles P-C4'-P energy: -20.433 tors. eta vs tors. theta energy: -34.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -408.923591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.923591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.923591 (E_RNA) where: Base-Base interactions energy: -275.008 where: short stacking energy: -131.581 Base-Backbone interact. energy: -0.678 local terms energy: -133.237818 where: bonds (distance) C4'-P energy: -26.277 bonds (distance) P-C4' energy: -24.800 flat angles C4'-P-C4' energy: -28.679 flat angles P-C4'-P energy: -17.958 tors. eta vs tors. theta energy: -35.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -369.871056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.871056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.871056 (E_RNA) where: Base-Base interactions energy: -249.100 where: short stacking energy: -104.832 Base-Backbone interact. energy: -1.725 local terms energy: -119.045808 where: bonds (distance) C4'-P energy: -22.949 bonds (distance) P-C4' energy: -18.987 flat angles C4'-P-C4' energy: -26.352 flat angles P-C4'-P energy: -17.853 tors. eta vs tors. theta energy: -32.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -366.383893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.383893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.383893 (E_RNA) where: Base-Base interactions energy: -254.625 where: short stacking energy: -115.476 Base-Backbone interact. energy: -0.326 local terms energy: -111.432824 where: bonds (distance) C4'-P energy: -21.570 bonds (distance) P-C4' energy: -21.738 flat angles C4'-P-C4' energy: -21.787 flat angles P-C4'-P energy: -16.632 tors. eta vs tors. theta energy: -29.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -322.014610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.014610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.014610 (E_RNA) where: Base-Base interactions energy: -220.844 where: short stacking energy: -93.648 Base-Backbone interact. energy: -0.171 local terms energy: -101.000160 where: bonds (distance) C4'-P energy: -20.722 bonds (distance) P-C4' energy: -24.771 flat angles C4'-P-C4' energy: -23.188 flat angles P-C4'-P energy: -14.705 tors. eta vs tors. theta energy: -17.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -318.494388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.494388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.494388 (E_RNA) where: Base-Base interactions energy: -212.704 where: short stacking energy: -107.211 Base-Backbone interact. energy: -0.041 local terms energy: -105.749378 where: bonds (distance) C4'-P energy: -20.331 bonds (distance) P-C4' energy: -21.265 flat angles C4'-P-C4' energy: -26.258 flat angles P-C4'-P energy: -11.752 tors. eta vs tors. theta energy: -26.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -256.298570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.298570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.298570 (E_RNA) where: Base-Base interactions energy: -166.304 where: short stacking energy: -78.353 Base-Backbone interact. energy: -0.828 local terms energy: -89.166207 where: bonds (distance) C4'-P energy: -19.508 bonds (distance) P-C4' energy: -19.375 flat angles C4'-P-C4' energy: -21.143 flat angles P-C4'-P energy: -14.390 tors. eta vs tors. theta energy: -14.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -230.046275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.046275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.046275 (E_RNA) where: Base-Base interactions energy: -146.212 where: short stacking energy: -64.133 Base-Backbone interact. energy: -0.325 local terms energy: -83.509390 where: bonds (distance) C4'-P energy: -21.429 bonds (distance) P-C4' energy: -18.165 flat angles C4'-P-C4' energy: -24.144 flat angles P-C4'-P energy: -13.227 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -188.425925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.425925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.425925 (E_RNA) where: Base-Base interactions energy: -103.729 where: short stacking energy: -55.894 Base-Backbone interact. energy: 0.203 local terms energy: -84.899380 where: bonds (distance) C4'-P energy: -19.086 bonds (distance) P-C4' energy: -22.477 flat angles C4'-P-C4' energy: -23.611 flat angles P-C4'-P energy: -13.973 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -203.761525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.761525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.761525 (E_RNA) where: Base-Base interactions energy: -131.208 where: short stacking energy: -66.189 Base-Backbone interact. energy: -0.199 local terms energy: -72.354553 where: bonds (distance) C4'-P energy: -20.594 bonds (distance) P-C4' energy: -20.876 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -12.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -411.024318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.024318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.024318 (E_RNA) where: Base-Base interactions energy: -285.901 where: short stacking energy: -121.812 Base-Backbone interact. energy: -1.353 local terms energy: -123.769875 where: bonds (distance) C4'-P energy: -18.934 bonds (distance) P-C4' energy: -25.955 flat angles C4'-P-C4' energy: -30.454 flat angles P-C4'-P energy: -16.579 tors. eta vs tors. theta energy: -31.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -396.414817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.414817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.414817 (E_RNA) where: Base-Base interactions energy: -265.362 where: short stacking energy: -118.747 Base-Backbone interact. energy: -0.621 local terms energy: -130.431604 where: bonds (distance) C4'-P energy: -27.088 bonds (distance) P-C4' energy: -26.345 flat angles C4'-P-C4' energy: -24.371 flat angles P-C4'-P energy: -15.611 tors. eta vs tors. theta energy: -37.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -359.761242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.761242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.761242 (E_RNA) where: Base-Base interactions energy: -244.723 where: short stacking energy: -106.057 Base-Backbone interact. energy: -0.016 local terms energy: -115.022613 where: bonds (distance) C4'-P energy: -20.001 bonds (distance) P-C4' energy: -16.907 flat angles C4'-P-C4' energy: -27.060 flat angles P-C4'-P energy: -17.279 tors. eta vs tors. theta energy: -33.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -358.481469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.481469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.481469 (E_RNA) where: Base-Base interactions energy: -248.065 where: short stacking energy: -115.049 Base-Backbone interact. energy: -0.267 local terms energy: -110.148940 where: bonds (distance) C4'-P energy: -19.323 bonds (distance) P-C4' energy: -17.297 flat angles C4'-P-C4' energy: -19.255 flat angles P-C4'-P energy: -22.530 tors. eta vs tors. theta energy: -31.744 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: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -341.617011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.617011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.617011 (E_RNA) where: Base-Base interactions energy: -230.604 where: short stacking energy: -118.760 Base-Backbone interact. energy: -0.221 local terms energy: -110.791976 where: bonds (distance) C4'-P energy: -15.344 bonds (distance) P-C4' energy: -22.217 flat angles C4'-P-C4' energy: -21.092 flat angles P-C4'-P energy: -16.373 tors. eta vs tors. theta energy: -35.766 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: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -297.709672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.709672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.709672 (E_RNA) where: Base-Base interactions energy: -197.411 where: short stacking energy: -85.509 Base-Backbone interact. energy: -1.698 local terms energy: -98.600843 where: bonds (distance) C4'-P energy: -19.642 bonds (distance) P-C4' energy: -26.976 flat angles C4'-P-C4' energy: -21.135 flat angles P-C4'-P energy: -13.262 tors. eta vs tors. theta energy: -17.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -233.940263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.940263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.940263 (E_RNA) where: Base-Base interactions energy: -144.392 where: short stacking energy: -56.400 Base-Backbone interact. energy: -0.663 local terms energy: -88.885616 where: bonds (distance) C4'-P energy: -20.419 bonds (distance) P-C4' energy: -26.532 flat angles C4'-P-C4' energy: -21.792 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -247.333284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.333284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.333284 (E_RNA) where: Base-Base interactions energy: -157.274 where: short stacking energy: -69.603 Base-Backbone interact. energy: -0.547 local terms energy: -89.512895 where: bonds (distance) C4'-P energy: -23.413 bonds (distance) P-C4' energy: -25.573 flat angles C4'-P-C4' energy: -19.554 flat angles P-C4'-P energy: -12.802 tors. eta vs tors. theta energy: -8.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -179.461990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.461990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.461990 (E_RNA) where: Base-Base interactions energy: -112.648 where: short stacking energy: -47.646 Base-Backbone interact. energy: -0.744 local terms energy: -66.070686 where: bonds (distance) C4'-P energy: -16.014 bonds (distance) P-C4' energy: -21.903 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -5.702 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: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -177.912030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.912030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.912030 (E_RNA) where: Base-Base interactions energy: -90.966 where: short stacking energy: -47.002 Base-Backbone interact. energy: -0.190 local terms energy: -86.756328 where: bonds (distance) C4'-P energy: -22.700 bonds (distance) P-C4' energy: -21.667 flat angles C4'-P-C4' energy: -21.160 flat angles P-C4'-P energy: -14.105 tors. eta vs tors. theta energy: -7.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -402.801800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.801800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.801800 (E_RNA) where: Base-Base interactions energy: -288.706 where: short stacking energy: -115.361 Base-Backbone interact. energy: -0.487 local terms energy: -113.608824 where: bonds (distance) C4'-P energy: -25.910 bonds (distance) P-C4' energy: -17.036 flat angles C4'-P-C4' energy: -25.671 flat angles P-C4'-P energy: -16.394 tors. eta vs tors. theta energy: -28.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -399.273312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.273312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.273312 (E_RNA) where: Base-Base interactions energy: -260.860 where: short stacking energy: -117.065 Base-Backbone interact. energy: -1.598 local terms energy: -136.815760 where: bonds (distance) C4'-P energy: -24.679 bonds (distance) P-C4' energy: -26.791 flat angles C4'-P-C4' energy: -24.426 flat angles P-C4'-P energy: -23.597 tors. eta vs tors. theta energy: -37.322 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: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -348.202883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.202883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.202883 (E_RNA) where: Base-Base interactions energy: -225.180 where: short stacking energy: -100.512 Base-Backbone interact. energy: -0.192 local terms energy: -122.830881 where: bonds (distance) C4'-P energy: -23.230 bonds (distance) P-C4' energy: -29.083 flat angles C4'-P-C4' energy: -25.327 flat angles P-C4'-P energy: -15.832 tors. eta vs tors. theta energy: -29.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -347.593460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.593460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.593460 (E_RNA) where: Base-Base interactions energy: -243.391 where: short stacking energy: -104.079 Base-Backbone interact. energy: 0.751 local terms energy: -104.953605 where: bonds (distance) C4'-P energy: -23.618 bonds (distance) P-C4' energy: -23.229 flat angles C4'-P-C4' energy: -17.383 flat angles P-C4'-P energy: -15.484 tors. eta vs tors. theta energy: -25.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -331.215414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.215414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.215414 (E_RNA) where: Base-Base interactions energy: -215.593 where: short stacking energy: -106.155 Base-Backbone interact. energy: -0.039 local terms energy: -115.582896 where: bonds (distance) C4'-P energy: -19.275 bonds (distance) P-C4' energy: -23.098 flat angles C4'-P-C4' energy: -25.505 flat angles P-C4'-P energy: -18.008 tors. eta vs tors. theta energy: -29.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -301.016812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.016812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.016812 (E_RNA) where: Base-Base interactions energy: -189.273 where: short stacking energy: -82.426 Base-Backbone interact. energy: -0.761 local terms energy: -110.982889 where: bonds (distance) C4'-P energy: -24.169 bonds (distance) P-C4' energy: -24.882 flat angles C4'-P-C4' energy: -21.954 flat angles P-C4'-P energy: -15.716 tors. eta vs tors. theta energy: -24.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -252.623099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.623099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.623099 (E_RNA) where: Base-Base interactions energy: -167.846 where: short stacking energy: -87.652 Base-Backbone interact. energy: -0.674 local terms energy: -84.102207 where: bonds (distance) C4'-P energy: -18.709 bonds (distance) P-C4' energy: -20.614 flat angles C4'-P-C4' energy: -18.159 flat angles P-C4'-P energy: -10.752 tors. eta vs tors. theta energy: -15.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -255.122234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.122234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.122234 (E_RNA) where: Base-Base interactions energy: -166.322 where: short stacking energy: -83.082 Base-Backbone interact. energy: -0.263 local terms energy: -88.537601 where: bonds (distance) C4'-P energy: -22.366 bonds (distance) P-C4' energy: -17.387 flat angles C4'-P-C4' energy: -17.090 flat angles P-C4'-P energy: -17.576 tors. eta vs tors. theta energy: -14.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -220.412465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.412465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.412465 (E_RNA) where: Base-Base interactions energy: -122.609 where: short stacking energy: -50.867 Base-Backbone interact. energy: -0.671 local terms energy: -97.132944 where: bonds (distance) C4'-P energy: -23.089 bonds (distance) P-C4' energy: -24.053 flat angles C4'-P-C4' energy: -20.823 flat angles P-C4'-P energy: -16.418 tors. eta vs tors. theta energy: -12.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -194.195740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.195740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.195740 (E_RNA) where: Base-Base interactions energy: -112.663 where: short stacking energy: -53.245 Base-Backbone interact. energy: -0.648 local terms energy: -80.885023 where: bonds (distance) C4'-P energy: -21.235 bonds (distance) P-C4' energy: -19.646 flat angles C4'-P-C4' energy: -22.529 flat angles P-C4'-P energy: -13.061 tors. eta vs tors. theta energy: -4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -395.188574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.188574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.188574 (E_RNA) where: Base-Base interactions energy: -282.484 where: short stacking energy: -110.976 Base-Backbone interact. energy: -0.563 local terms energy: -112.141089 where: bonds (distance) C4'-P energy: -22.673 bonds (distance) P-C4' energy: -17.602 flat angles C4'-P-C4' energy: -26.538 flat angles P-C4'-P energy: -15.678 tors. eta vs tors. theta energy: -29.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -395.269690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.269690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.269690 (E_RNA) where: Base-Base interactions energy: -267.590 where: short stacking energy: -116.032 Base-Backbone interact. energy: -1.182 local terms energy: -126.497334 where: bonds (distance) C4'-P energy: -25.689 bonds (distance) P-C4' energy: -20.070 flat angles C4'-P-C4' energy: -24.850 flat angles P-C4'-P energy: -18.614 tors. eta vs tors. theta energy: -37.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -358.934606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.934606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.934606 (E_RNA) where: Base-Base interactions energy: -239.346 where: short stacking energy: -99.632 Base-Backbone interact. energy: 1.140 local terms energy: -120.727665 where: bonds (distance) C4'-P energy: -23.320 bonds (distance) P-C4' energy: -25.210 flat angles C4'-P-C4' energy: -27.473 flat angles P-C4'-P energy: -17.353 tors. eta vs tors. theta energy: -27.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -343.436544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.436544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.436544 (E_RNA) where: Base-Base interactions energy: -232.730 where: short stacking energy: -101.380 Base-Backbone interact. energy: -0.869 local terms energy: -109.838146 where: bonds (distance) C4'-P energy: -25.930 bonds (distance) P-C4' energy: -21.694 flat angles C4'-P-C4' energy: -24.408 flat angles P-C4'-P energy: -17.093 tors. eta vs tors. theta energy: -20.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -348.873368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.873368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.873368 (E_RNA) where: Base-Base interactions energy: -230.885 where: short stacking energy: -109.741 Base-Backbone interact. energy: -0.434 local terms energy: -117.554839 where: bonds (distance) C4'-P energy: -18.204 bonds (distance) P-C4' energy: -25.474 flat angles C4'-P-C4' energy: -24.684 flat angles P-C4'-P energy: -17.919 tors. eta vs tors. theta energy: -31.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -309.651149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.651149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.651149 (E_RNA) where: Base-Base interactions energy: -211.676 where: short stacking energy: -83.060 Base-Backbone interact. energy: 0.581 local terms energy: -98.556453 where: bonds (distance) C4'-P energy: -17.319 bonds (distance) P-C4' energy: -25.059 flat angles C4'-P-C4' energy: -24.590 flat angles P-C4'-P energy: -13.402 tors. eta vs tors. theta energy: -18.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -243.414475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.414475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.414475 (E_RNA) where: Base-Base interactions energy: -154.075 where: short stacking energy: -67.810 Base-Backbone interact. energy: -2.053 local terms energy: -87.286093 where: bonds (distance) C4'-P energy: -18.577 bonds (distance) P-C4' energy: -21.297 flat angles C4'-P-C4' energy: -20.082 flat angles P-C4'-P energy: -11.372 tors. eta vs tors. theta energy: -15.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -225.388464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.388464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.388464 (E_RNA) where: Base-Base interactions energy: -139.991 where: short stacking energy: -68.218 Base-Backbone interact. energy: 0.640 local terms energy: -86.037301 where: bonds (distance) C4'-P energy: -24.497 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -20.504 flat angles P-C4'-P energy: -11.713 tors. eta vs tors. theta energy: -12.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -191.824296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.824296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.824296 (E_RNA) where: Base-Base interactions energy: -96.444 where: short stacking energy: -53.140 Base-Backbone interact. energy: -1.327 local terms energy: -94.053119 where: bonds (distance) C4'-P energy: -18.606 bonds (distance) P-C4' energy: -24.855 flat angles C4'-P-C4' energy: -18.513 flat angles P-C4'-P energy: -18.810 tors. eta vs tors. theta energy: -13.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -186.312569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.312569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.312569 (E_RNA) where: Base-Base interactions energy: -104.302 where: short stacking energy: -56.980 Base-Backbone interact. energy: -0.262 local terms energy: -81.749339 where: bonds (distance) C4'-P energy: -26.500 bonds (distance) P-C4' energy: -19.769 flat angles C4'-P-C4' energy: -10.886 flat angles P-C4'-P energy: -12.801 tors. eta vs tors. theta energy: -11.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -403.300055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.300055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.300055 (E_RNA) where: Base-Base interactions energy: -284.582 where: short stacking energy: -103.950 Base-Backbone interact. energy: -0.782 local terms energy: -117.935510 where: bonds (distance) C4'-P energy: -22.725 bonds (distance) P-C4' energy: -25.116 flat angles C4'-P-C4' energy: -22.581 flat angles P-C4'-P energy: -17.176 tors. eta vs tors. theta energy: -30.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -387.948409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.948409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.948409 (E_RNA) where: Base-Base interactions energy: -265.449 where: short stacking energy: -113.500 Base-Backbone interact. energy: -0.842 local terms energy: -121.657350 where: bonds (distance) C4'-P energy: -18.213 bonds (distance) P-C4' energy: -24.690 flat angles C4'-P-C4' energy: -26.402 flat angles P-C4'-P energy: -15.568 tors. eta vs tors. theta energy: -36.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -353.771876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.771876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.771876 (E_RNA) where: Base-Base interactions energy: -236.216 where: short stacking energy: -97.342 Base-Backbone interact. energy: -1.880 local terms energy: -115.676350 where: bonds (distance) C4'-P energy: -21.375 bonds (distance) P-C4' energy: -23.732 flat angles C4'-P-C4' energy: -24.628 flat angles P-C4'-P energy: -21.742 tors. eta vs tors. theta energy: -24.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -338.235239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.235239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.235239 (E_RNA) where: Base-Base interactions energy: -225.493 where: short stacking energy: -111.900 Base-Backbone interact. energy: -0.923 local terms energy: -111.818922 where: bonds (distance) C4'-P energy: -17.803 bonds (distance) P-C4' energy: -22.472 flat angles C4'-P-C4' energy: -26.103 flat angles P-C4'-P energy: -15.944 tors. eta vs tors. theta energy: -29.497 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: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -350.573370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.573370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.573370 (E_RNA) where: Base-Base interactions energy: -234.014 where: short stacking energy: -98.930 Base-Backbone interact. energy: 0.354 local terms energy: -116.913261 where: bonds (distance) C4'-P energy: -19.256 bonds (distance) P-C4' energy: -28.376 flat angles C4'-P-C4' energy: -22.846 flat angles P-C4'-P energy: -19.310 tors. eta vs tors. theta energy: -27.126 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: 373 Temperature: 1.150000 Total energy: -300.931581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.931581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.931581 (E_RNA) where: Base-Base interactions energy: -203.740 where: short stacking energy: -79.550 Base-Backbone interact. energy: -0.199 local terms energy: -96.992104 where: bonds (distance) C4'-P energy: -16.896 bonds (distance) P-C4' energy: -21.124 flat angles C4'-P-C4' energy: -27.870 flat angles P-C4'-P energy: -16.824 tors. eta vs tors. theta energy: -14.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -240.404539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.404539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.404539 (E_RNA) where: Base-Base interactions energy: -152.399 where: short stacking energy: -71.188 Base-Backbone interact. energy: -0.607 local terms energy: -87.399348 where: bonds (distance) C4'-P energy: -21.354 bonds (distance) P-C4' energy: -19.320 flat angles C4'-P-C4' energy: -21.217 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -249.506741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.506741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.506741 (E_RNA) where: Base-Base interactions energy: -158.619 where: short stacking energy: -73.342 Base-Backbone interact. energy: 2.073 local terms energy: -92.960223 where: bonds (distance) C4'-P energy: -20.767 bonds (distance) P-C4' energy: -14.802 flat angles C4'-P-C4' energy: -26.256 flat angles P-C4'-P energy: -14.039 tors. eta vs tors. theta energy: -17.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -193.144471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.144471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.144471 (E_RNA) where: Base-Base interactions energy: -102.063 where: short stacking energy: -57.902 Base-Backbone interact. energy: 0.163 local terms energy: -91.244345 where: bonds (distance) C4'-P energy: -26.936 bonds (distance) P-C4' energy: -19.268 flat angles C4'-P-C4' energy: -17.551 flat angles P-C4'-P energy: -17.790 tors. eta vs tors. theta energy: -9.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -180.068175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.068175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.068175 (E_RNA) where: Base-Base interactions energy: -96.415 where: short stacking energy: -50.434 Base-Backbone interact. energy: -0.258 local terms energy: -83.395031 where: bonds (distance) C4'-P energy: -16.470 bonds (distance) P-C4' energy: -23.176 flat angles C4'-P-C4' energy: -19.486 flat angles P-C4'-P energy: -16.610 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: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -405.395350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.395350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.395350 (E_RNA) where: Base-Base interactions energy: -278.381 where: short stacking energy: -122.874 Base-Backbone interact. energy: -0.929 local terms energy: -126.084773 where: bonds (distance) C4'-P energy: -23.727 bonds (distance) P-C4' energy: -21.345 flat angles C4'-P-C4' energy: -27.412 flat angles P-C4'-P energy: -16.722 tors. eta vs tors. theta energy: -36.879 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: 2, replica: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -386.502762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.502762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.502762 (E_RNA) where: Base-Base interactions energy: -267.249 where: short stacking energy: -105.344 Base-Backbone interact. energy: -0.365 local terms energy: -118.888884 where: bonds (distance) C4'-P energy: -24.054 bonds (distance) P-C4' energy: -23.672 flat angles C4'-P-C4' energy: -27.139 flat angles P-C4'-P energy: -16.799 tors. eta vs tors. theta energy: -27.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -349.963104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.963104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.963104 (E_RNA) where: Base-Base interactions energy: -234.757 where: short stacking energy: -95.654 Base-Backbone interact. energy: -0.316 local terms energy: -114.890410 where: bonds (distance) C4'-P energy: -18.924 bonds (distance) P-C4' energy: -28.647 flat angles C4'-P-C4' energy: -25.588 flat angles P-C4'-P energy: -16.998 tors. eta vs tors. theta energy: -24.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -365.996018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.996018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.996018 (E_RNA) where: Base-Base interactions energy: -244.506 where: short stacking energy: -115.401 Base-Backbone interact. energy: -0.099 local terms energy: -121.390982 where: bonds (distance) C4'-P energy: -23.387 bonds (distance) P-C4' energy: -23.566 flat angles C4'-P-C4' energy: -27.030 flat angles P-C4'-P energy: -15.025 tors. eta vs tors. theta energy: -32.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -333.585949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.585949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.585949 (E_RNA) where: Base-Base interactions energy: -222.970 where: short stacking energy: -92.984 Base-Backbone interact. energy: 2.265 local terms energy: -112.880459 where: bonds (distance) C4'-P energy: -23.094 bonds (distance) P-C4' energy: -24.755 flat angles C4'-P-C4' energy: -26.676 flat angles P-C4'-P energy: -15.164 tors. eta vs tors. theta energy: -23.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -315.999372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.999372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.999372 (E_RNA) where: Base-Base interactions energy: -213.913 where: short stacking energy: -92.560 Base-Backbone interact. energy: 0.511 local terms energy: -102.596858 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -27.082 flat angles C4'-P-C4' energy: -24.367 flat angles P-C4'-P energy: -18.837 tors. eta vs tors. theta energy: -20.413 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: 7 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -244.595135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.595135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.595135 (E_RNA) where: Base-Base interactions energy: -145.206 where: short stacking energy: -73.409 Base-Backbone interact. energy: -0.408 local terms energy: -98.981307 where: bonds (distance) C4'-P energy: -25.022 bonds (distance) P-C4' energy: -25.701 flat angles C4'-P-C4' energy: -23.396 flat angles P-C4'-P energy: -11.394 tors. eta vs tors. theta energy: -13.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -235.616744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.616744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.616744 (E_RNA) where: Base-Base interactions energy: -141.525 where: short stacking energy: -71.664 Base-Backbone interact. energy: -0.221 local terms energy: -93.870813 where: bonds (distance) C4'-P energy: -20.586 bonds (distance) P-C4' energy: -24.742 flat angles C4'-P-C4' energy: -25.251 flat angles P-C4'-P energy: -14.366 tors. eta vs tors. theta energy: -8.925 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: 374 Temperature: 1.300000 Total energy: -196.690076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.690076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.690076 (E_RNA) where: Base-Base interactions energy: -108.602 where: short stacking energy: -63.310 Base-Backbone interact. energy: 0.990 local terms energy: -89.078567 where: bonds (distance) C4'-P energy: -24.335 bonds (distance) P-C4' energy: -21.655 flat angles C4'-P-C4' energy: -16.306 flat angles P-C4'-P energy: -16.448 tors. eta vs tors. theta energy: -10.334 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: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -167.765628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.765628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.765628 (E_RNA) where: Base-Base interactions energy: -92.396 where: short stacking energy: -53.189 Base-Backbone interact. energy: -0.275 local terms energy: -75.094922 where: bonds (distance) C4'-P energy: -14.657 bonds (distance) P-C4' energy: -18.995 flat angles C4'-P-C4' energy: -21.193 flat angles P-C4'-P energy: -18.014 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -407.599517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.599517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.599517 (E_RNA) where: Base-Base interactions energy: -279.744 where: short stacking energy: -129.601 Base-Backbone interact. energy: -0.446 local terms energy: -127.409643 where: bonds (distance) C4'-P energy: -22.618 bonds (distance) P-C4' energy: -24.242 flat angles C4'-P-C4' energy: -27.393 flat angles P-C4'-P energy: -16.217 tors. eta vs tors. theta energy: -36.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -391.855434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.855434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.855434 (E_RNA) where: Base-Base interactions energy: -273.222 where: short stacking energy: -107.462 Base-Backbone interact. energy: -0.104 local terms energy: -118.529681 where: bonds (distance) C4'-P energy: -25.991 bonds (distance) P-C4' energy: -24.825 flat angles C4'-P-C4' energy: -24.815 flat angles P-C4'-P energy: -17.590 tors. eta vs tors. theta energy: -25.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -362.328984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.328984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.328984 (E_RNA) where: Base-Base interactions energy: -241.677 where: short stacking energy: -106.046 Base-Backbone interact. energy: -0.456 local terms energy: -120.196209 where: bonds (distance) C4'-P energy: -22.769 bonds (distance) P-C4' energy: -24.195 flat angles C4'-P-C4' energy: -27.505 flat angles P-C4'-P energy: -16.844 tors. eta vs tors. theta energy: -28.883 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: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -353.338994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.338994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.338994 (E_RNA) where: Base-Base interactions energy: -234.414 where: short stacking energy: -103.115 Base-Backbone interact. energy: -1.460 local terms energy: -117.465508 where: bonds (distance) C4'-P energy: -24.251 bonds (distance) P-C4' energy: -21.585 flat angles C4'-P-C4' energy: -23.602 flat angles P-C4'-P energy: -17.159 tors. eta vs tors. theta energy: -30.868 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: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -356.937741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.937741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.937741 (E_RNA) where: Base-Base interactions energy: -241.390 where: short stacking energy: -128.703 Base-Backbone interact. energy: -0.441 local terms energy: -115.107143 where: bonds (distance) C4'-P energy: -20.441 bonds (distance) P-C4' energy: -19.091 flat angles C4'-P-C4' energy: -20.885 flat angles P-C4'-P energy: -16.332 tors. eta vs tors. theta energy: -38.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -245.489051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.489051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.489051 (E_RNA) where: Base-Base interactions energy: -154.407 where: short stacking energy: -72.936 Base-Backbone interact. energy: -0.773 local terms energy: -90.308917 where: bonds (distance) C4'-P energy: -18.870 bonds (distance) P-C4' energy: -23.478 flat angles C4'-P-C4' energy: -21.264 flat angles P-C4'-P energy: -12.655 tors. eta vs tors. theta energy: -14.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -343.094700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.094700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.094700 (E_RNA) where: Base-Base interactions energy: -231.182 where: short stacking energy: -99.111 Base-Backbone interact. energy: -1.720 local terms energy: -110.192017 where: bonds (distance) C4'-P energy: -22.265 bonds (distance) P-C4' energy: -21.376 flat angles C4'-P-C4' energy: -27.212 flat angles P-C4'-P energy: -18.916 tors. eta vs tors. theta energy: -20.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -196.492014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.492014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.492014 (E_RNA) where: Base-Base interactions energy: -106.877 where: short stacking energy: -53.743 Base-Backbone interact. energy: -0.204 local terms energy: -89.411024 where: bonds (distance) C4'-P energy: -16.610 bonds (distance) P-C4' energy: -25.426 flat angles C4'-P-C4' energy: -21.510 flat angles P-C4'-P energy: -14.855 tors. eta vs tors. theta energy: -11.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -226.935407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.935407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.935407 (E_RNA) where: Base-Base interactions energy: -140.181 where: short stacking energy: -52.307 Base-Backbone interact. energy: 1.276 local terms energy: -88.030375 where: bonds (distance) C4'-P energy: -21.452 bonds (distance) P-C4' energy: -24.369 flat angles C4'-P-C4' energy: -27.704 flat angles P-C4'-P energy: -11.158 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: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -117.892869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.892869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.892869 (E_RNA) where: Base-Base interactions energy: -46.260 where: short stacking energy: -46.260 Base-Backbone interact. energy: -0.389 local terms energy: -71.243131 where: bonds (distance) C4'-P energy: -15.844 bonds (distance) P-C4' energy: -23.243 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -15.335 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -410.628626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.628626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.628626 (E_RNA) where: Base-Base interactions energy: -279.249 where: short stacking energy: -128.654 Base-Backbone interact. energy: -1.472 local terms energy: -129.907389 where: bonds (distance) C4'-P energy: -27.345 bonds (distance) P-C4' energy: -23.787 flat angles C4'-P-C4' energy: -26.554 flat angles P-C4'-P energy: -12.960 tors. eta vs tors. theta energy: -39.261 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: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -396.199229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.199229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.199229 (E_RNA) where: Base-Base interactions energy: -274.225 where: short stacking energy: -117.196 Base-Backbone interact. energy: -1.244 local terms energy: -120.730595 where: bonds (distance) C4'-P energy: -23.339 bonds (distance) P-C4' energy: -22.270 flat angles C4'-P-C4' energy: -28.755 flat angles P-C4'-P energy: -15.720 tors. eta vs tors. theta energy: -30.646 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: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -368.360488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.360488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.360488 (E_RNA) where: Base-Base interactions energy: -251.032 where: short stacking energy: -117.606 Base-Backbone interact. energy: -1.299 local terms energy: -116.029714 where: bonds (distance) C4'-P energy: -17.014 bonds (distance) P-C4' energy: -22.790 flat angles C4'-P-C4' energy: -25.821 flat angles P-C4'-P energy: -18.367 tors. eta vs tors. theta energy: -32.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -350.625068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.625068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.625068 (E_RNA) where: Base-Base interactions energy: -249.520 where: short stacking energy: -96.946 Base-Backbone interact. energy: -0.139 local terms energy: -100.965684 where: bonds (distance) C4'-P energy: -19.116 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -22.644 flat angles P-C4'-P energy: -17.479 tors. eta vs tors. theta energy: -26.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -331.571849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.571849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.571849 (E_RNA) where: Base-Base interactions energy: -219.415 where: short stacking energy: -109.360 Base-Backbone interact. energy: -0.772 local terms energy: -111.384969 where: bonds (distance) C4'-P energy: -24.182 bonds (distance) P-C4' energy: -22.681 flat angles C4'-P-C4' energy: -22.619 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -30.214 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: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -268.698104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.698104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.698104 (E_RNA) where: Base-Base interactions energy: -166.691 where: short stacking energy: -79.963 Base-Backbone interact. energy: -0.215 local terms energy: -101.792233 where: bonds (distance) C4'-P energy: -20.411 bonds (distance) P-C4' energy: -22.725 flat angles C4'-P-C4' energy: -16.812 flat angles P-C4'-P energy: -19.098 tors. eta vs tors. theta energy: -22.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -302.146959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.146959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.146959 (E_RNA) where: Base-Base interactions energy: -207.082 where: short stacking energy: -85.910 Base-Backbone interact. energy: -0.373 local terms energy: -94.691907 where: bonds (distance) C4'-P energy: -20.809 bonds (distance) P-C4' energy: -27.319 flat angles C4'-P-C4' energy: -15.919 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -213.531164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.531164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.531164 (E_RNA) where: Base-Base interactions energy: -132.483 where: short stacking energy: -81.419 Base-Backbone interact. energy: 1.576 local terms energy: -82.624547 where: bonds (distance) C4'-P energy: -18.464 bonds (distance) P-C4' energy: -19.788 flat angles C4'-P-C4' energy: -17.430 flat angles P-C4'-P energy: -14.604 tors. eta vs tors. theta energy: -12.338 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: 6 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -242.104027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.104027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.104027 (E_RNA) where: Base-Base interactions energy: -134.986 where: short stacking energy: -61.824 Base-Backbone interact. energy: -0.086 local terms energy: -107.031893 where: bonds (distance) C4'-P energy: -22.187 bonds (distance) P-C4' energy: -22.947 flat angles C4'-P-C4' energy: -25.448 flat angles P-C4'-P energy: -13.393 tors. eta vs tors. theta energy: -23.057 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: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -119.629582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.629582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.629582 (E_RNA) where: Base-Base interactions energy: -41.184 where: short stacking energy: -38.697 Base-Backbone interact. energy: -0.277 local terms energy: -78.168794 where: bonds (distance) C4'-P energy: -21.707 bonds (distance) P-C4' energy: -21.924 flat angles C4'-P-C4' energy: -22.967 flat angles P-C4'-P energy: -16.066 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: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -403.970463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.970463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.970463 (E_RNA) where: Base-Base interactions energy: -278.445 where: short stacking energy: -113.223 Base-Backbone interact. energy: -1.162 local terms energy: -124.363847 where: bonds (distance) C4'-P energy: -25.200 bonds (distance) P-C4' energy: -25.336 flat angles C4'-P-C4' energy: -18.068 flat angles P-C4'-P energy: -16.990 tors. eta vs tors. theta energy: -38.769 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: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -369.618412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.618412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.618412 (E_RNA) where: Base-Base interactions energy: -248.726 where: short stacking energy: -113.683 Base-Backbone interact. energy: -1.415 local terms energy: -119.476655 where: bonds (distance) C4'-P energy: -18.317 bonds (distance) P-C4' energy: -25.374 flat angles C4'-P-C4' energy: -22.959 flat angles P-C4'-P energy: -20.718 tors. eta vs tors. theta energy: -32.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -389.501860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.501860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.501860 (E_RNA) where: Base-Base interactions energy: -269.393 where: short stacking energy: -110.331 Base-Backbone interact. energy: -0.007 local terms energy: -120.101235 where: bonds (distance) C4'-P energy: -23.148 bonds (distance) P-C4' energy: -25.524 flat angles C4'-P-C4' energy: -22.752 flat angles P-C4'-P energy: -16.424 tors. eta vs tors. theta energy: -32.253 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: 4, replica: 4 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -344.653276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.653276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.653276 (E_RNA) where: Base-Base interactions energy: -218.544 where: short stacking energy: -118.340 Base-Backbone interact. energy: -0.284 local terms energy: -125.824640 where: bonds (distance) C4'-P energy: -21.893 bonds (distance) P-C4' energy: -28.210 flat angles C4'-P-C4' energy: -25.330 flat angles P-C4'-P energy: -16.576 tors. eta vs tors. theta energy: -33.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -338.561581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.561581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.561581 (E_RNA) where: Base-Base interactions energy: -224.812 where: short stacking energy: -88.271 Base-Backbone interact. energy: -1.237 local terms energy: -112.512357 where: bonds (distance) C4'-P energy: -28.148 bonds (distance) P-C4' energy: -21.206 flat angles C4'-P-C4' energy: -22.662 flat angles P-C4'-P energy: -13.720 tors. eta vs tors. theta energy: -26.777 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: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -314.052873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.052873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.052873 (E_RNA) where: Base-Base interactions energy: -213.402 where: short stacking energy: -92.079 Base-Backbone interact. energy: -0.262 local terms energy: -100.389076 where: bonds (distance) C4'-P energy: -21.408 bonds (distance) P-C4' energy: -23.817 flat angles C4'-P-C4' energy: -24.447 flat angles P-C4'-P energy: -16.596 tors. eta vs tors. theta energy: -14.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -266.481451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.481451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.481451 (E_RNA) where: Base-Base interactions energy: -160.429 where: short stacking energy: -83.332 Base-Backbone interact. energy: -0.541 local terms energy: -105.512146 where: bonds (distance) C4'-P energy: -23.316 bonds (distance) P-C4' energy: -25.889 flat angles C4'-P-C4' energy: -25.571 flat angles P-C4'-P energy: -14.504 tors. eta vs tors. theta energy: -16.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -248.354914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.354914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.354914 (E_RNA) where: Base-Base interactions energy: -147.917 where: short stacking energy: -74.052 Base-Backbone interact. energy: 1.519 local terms energy: -101.957111 where: bonds (distance) C4'-P energy: -20.431 bonds (distance) P-C4' energy: -24.182 flat angles C4'-P-C4' energy: -28.280 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -18.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -195.597783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.597783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.597783 (E_RNA) where: Base-Base interactions energy: -109.170 where: short stacking energy: -58.179 Base-Backbone interact. energy: -0.288 local terms energy: -86.139344 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -25.110 flat angles C4'-P-C4' energy: -19.306 flat angles P-C4'-P energy: -11.216 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -117.105776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.105776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.105776 (E_RNA) where: Base-Base interactions energy: -41.783 where: short stacking energy: -41.783 Base-Backbone interact. energy: -0.566 local terms energy: -74.756510 where: bonds (distance) C4'-P energy: -16.709 bonds (distance) P-C4' energy: -24.827 flat angles C4'-P-C4' energy: -17.246 flat angles P-C4'-P energy: -13.979 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -414.949062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.949062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.949062 (E_RNA) where: Base-Base interactions energy: -287.103 where: short stacking energy: -127.496 Base-Backbone interact. energy: -1.697 local terms energy: -126.149388 where: bonds (distance) C4'-P energy: -22.758 bonds (distance) P-C4' energy: -21.211 flat angles C4'-P-C4' energy: -22.857 flat angles P-C4'-P energy: -20.995 tors. eta vs tors. theta energy: -38.328 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: 9 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -362.611891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.611891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.611891 (E_RNA) where: Base-Base interactions energy: -249.306 where: short stacking energy: -114.207 Base-Backbone interact. energy: -0.088 local terms energy: -113.218098 where: bonds (distance) C4'-P energy: -18.915 bonds (distance) P-C4' energy: -22.969 flat angles C4'-P-C4' energy: -22.167 flat angles P-C4'-P energy: -16.061 tors. eta vs tors. theta energy: -33.107 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: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -397.055985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.055985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.055985 (E_RNA) where: Base-Base interactions energy: -277.165 where: short stacking energy: -114.517 Base-Backbone interact. energy: -0.912 local terms energy: -118.978402 where: bonds (distance) C4'-P energy: -19.144 bonds (distance) P-C4' energy: -23.176 flat angles C4'-P-C4' energy: -26.388 flat angles P-C4'-P energy: -14.637 tors. eta vs tors. theta energy: -35.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -357.609897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.609897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.609897 (E_RNA) where: Base-Base interactions energy: -230.926 where: short stacking energy: -112.031 Base-Backbone interact. energy: -0.661 local terms energy: -126.023028 where: bonds (distance) C4'-P energy: -29.339 bonds (distance) P-C4' energy: -22.765 flat angles C4'-P-C4' energy: -26.137 flat angles P-C4'-P energy: -16.124 tors. eta vs tors. theta energy: -31.658 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: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -344.965679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.965679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.965679 (E_RNA) where: Base-Base interactions energy: -233.691 where: short stacking energy: -104.069 Base-Backbone interact. energy: -0.606 local terms energy: -110.669323 where: bonds (distance) C4'-P energy: -22.912 bonds (distance) P-C4' energy: -22.205 flat angles C4'-P-C4' energy: -21.568 flat angles P-C4'-P energy: -15.699 tors. eta vs tors. theta energy: -28.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -319.727025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.727025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.727025 (E_RNA) where: Base-Base interactions energy: -227.435 where: short stacking energy: -93.510 Base-Backbone interact. energy: -0.307 local terms energy: -91.984731 where: bonds (distance) C4'-P energy: -20.063 bonds (distance) P-C4' energy: -22.885 flat angles C4'-P-C4' energy: -21.157 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -18.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -254.326030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.326030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.326030 (E_RNA) where: Base-Base interactions energy: -157.420 where: short stacking energy: -74.365 Base-Backbone interact. energy: -1.399 local terms energy: -95.507744 where: bonds (distance) C4'-P energy: -22.829 bonds (distance) P-C4' energy: -28.237 flat angles C4'-P-C4' energy: -17.243 flat angles P-C4'-P energy: -14.343 tors. eta vs tors. theta energy: -12.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -231.162256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.162256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.162256 (E_RNA) where: Base-Base interactions energy: -145.208 where: short stacking energy: -73.468 Base-Backbone interact. energy: -1.299 local terms energy: -84.654868 where: bonds (distance) C4'-P energy: -18.843 bonds (distance) P-C4' energy: -18.871 flat angles C4'-P-C4' energy: -21.136 flat angles P-C4'-P energy: -14.414 tors. eta vs tors. theta energy: -11.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -129.546048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.546048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.546048 (E_RNA) where: Base-Base interactions energy: -46.540 where: short stacking energy: -34.723 Base-Backbone interact. energy: 0.849 local terms energy: -83.855674 where: bonds (distance) C4'-P energy: -22.235 bonds (distance) P-C4' energy: -21.824 flat angles C4'-P-C4' energy: -24.847 flat angles P-C4'-P energy: -12.022 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: 5 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -168.831844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.831844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.831844 (E_RNA) where: Base-Base interactions energy: -85.889 where: short stacking energy: -45.062 Base-Backbone interact. energy: -0.225 local terms energy: -82.718580 where: bonds (distance) C4'-P energy: -20.514 bonds (distance) P-C4' energy: -23.223 flat angles C4'-P-C4' energy: -21.905 flat angles P-C4'-P energy: -13.820 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -417.578607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.578607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.578607 (E_RNA) where: Base-Base interactions energy: -280.062 where: short stacking energy: -130.962 Base-Backbone interact. energy: 0.154 local terms energy: -137.670875 where: bonds (distance) C4'-P energy: -26.019 bonds (distance) P-C4' energy: -27.900 flat angles C4'-P-C4' energy: -26.522 flat angles P-C4'-P energy: -18.401 tors. eta vs tors. theta energy: -38.829 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: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -398.613783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.613783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.613783 (E_RNA) where: Base-Base interactions energy: -270.994 where: short stacking energy: -116.718 Base-Backbone interact. energy: -0.917 local terms energy: -126.702631 where: bonds (distance) C4'-P energy: -24.625 bonds (distance) P-C4' energy: -24.034 flat angles C4'-P-C4' energy: -27.289 flat angles P-C4'-P energy: -17.123 tors. eta vs tors. theta energy: -33.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -357.384390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.384390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.384390 (E_RNA) where: Base-Base interactions energy: -239.511 where: short stacking energy: -99.335 Base-Backbone interact. energy: -0.129 local terms energy: -117.744155 where: bonds (distance) C4'-P energy: -24.670 bonds (distance) P-C4' energy: -22.471 flat angles C4'-P-C4' energy: -24.932 flat angles P-C4'-P energy: -16.530 tors. eta vs tors. theta energy: -29.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -349.141663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.141663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.141663 (E_RNA) where: Base-Base interactions energy: -240.487 where: short stacking energy: -107.939 Base-Backbone interact. energy: 1.150 local terms energy: -109.804736 where: bonds (distance) C4'-P energy: -20.136 bonds (distance) P-C4' energy: -22.769 flat angles C4'-P-C4' energy: -23.689 flat angles P-C4'-P energy: -17.059 tors. eta vs tors. theta energy: -26.151 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: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -353.576529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.576529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.576529 (E_RNA) where: Base-Base interactions energy: -234.726 where: short stacking energy: -111.767 Base-Backbone interact. energy: -0.056 local terms energy: -118.794917 where: bonds (distance) C4'-P energy: -20.494 bonds (distance) P-C4' energy: -20.538 flat angles C4'-P-C4' energy: -24.666 flat angles P-C4'-P energy: -19.080 tors. eta vs tors. theta energy: -34.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -319.850468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.850468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.850468 (E_RNA) where: Base-Base interactions energy: -218.241 where: short stacking energy: -87.435 Base-Backbone interact. energy: -0.163 local terms energy: -101.445900 where: bonds (distance) C4'-P energy: -23.020 bonds (distance) P-C4' energy: -20.542 flat angles C4'-P-C4' energy: -21.125 flat angles P-C4'-P energy: -16.195 tors. eta vs tors. theta energy: -20.564 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: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -237.874439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.874439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.874439 (E_RNA) where: Base-Base interactions energy: -152.332 where: short stacking energy: -69.852 Base-Backbone interact. energy: -0.273 local terms energy: -85.269671 where: bonds (distance) C4'-P energy: -15.525 bonds (distance) P-C4' energy: -23.685 flat angles C4'-P-C4' energy: -20.254 flat angles P-C4'-P energy: -15.051 tors. eta vs tors. theta energy: -10.755 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: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -233.001389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.001389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.001389 (E_RNA) where: Base-Base interactions energy: -152.536 where: short stacking energy: -68.930 Base-Backbone interact. energy: -1.863 local terms energy: -78.602268 where: bonds (distance) C4'-P energy: -16.719 bonds (distance) P-C4' energy: -21.792 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -14.206 tors. eta vs tors. theta energy: -16.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -121.480962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.480962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.480962 (E_RNA) where: Base-Base interactions energy: -44.505 where: short stacking energy: -37.604 Base-Backbone interact. energy: -0.441 local terms energy: -76.534913 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -24.923 flat angles C4'-P-C4' energy: -23.937 flat angles P-C4'-P energy: -16.022 tors. eta vs tors. theta energy: 0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -204.678116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.678116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.678116 (E_RNA) where: Base-Base interactions energy: -112.240 where: short stacking energy: -63.829 Base-Backbone interact. energy: -0.253 local terms energy: -92.185245 where: bonds (distance) C4'-P energy: -18.167 bonds (distance) P-C4' energy: -27.326 flat angles C4'-P-C4' energy: -17.917 flat angles P-C4'-P energy: -14.866 tors. eta vs tors. theta energy: -13.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -411.423678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.423678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.423678 (E_RNA) where: Base-Base interactions energy: -276.887 where: short stacking energy: -123.960 Base-Backbone interact. energy: -0.668 local terms energy: -133.869073 where: bonds (distance) C4'-P energy: -22.465 bonds (distance) P-C4' energy: -25.890 flat angles C4'-P-C4' energy: -29.280 flat angles P-C4'-P energy: -20.481 tors. eta vs tors. theta energy: -35.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -407.091281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.091281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.091281 (E_RNA) where: Base-Base interactions energy: -280.354 where: short stacking energy: -111.410 Base-Backbone interact. energy: -0.820 local terms energy: -125.917458 where: bonds (distance) C4'-P energy: -24.880 bonds (distance) P-C4' energy: -27.464 flat angles C4'-P-C4' energy: -26.753 flat angles P-C4'-P energy: -15.140 tors. eta vs tors. theta energy: -31.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -363.205355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.205355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.205355 (E_RNA) where: Base-Base interactions energy: -258.966 where: short stacking energy: -115.059 Base-Backbone interact. energy: -0.014 local terms energy: -104.225196 where: bonds (distance) C4'-P energy: -10.926 bonds (distance) P-C4' energy: -26.846 flat angles C4'-P-C4' energy: -27.236 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -30.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -349.758433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.758433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.758433 (E_RNA) where: Base-Base interactions energy: -241.754 where: short stacking energy: -102.111 Base-Backbone interact. energy: -0.030 local terms energy: -107.974491 where: bonds (distance) C4'-P energy: -20.415 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -25.984 flat angles P-C4'-P energy: -15.703 tors. eta vs tors. theta energy: -31.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -352.806788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.806788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.806788 (E_RNA) where: Base-Base interactions energy: -233.920 where: short stacking energy: -117.487 Base-Backbone interact. energy: -0.763 local terms energy: -118.123963 where: bonds (distance) C4'-P energy: -19.103 bonds (distance) P-C4' energy: -25.757 flat angles C4'-P-C4' energy: -22.566 flat angles P-C4'-P energy: -15.085 tors. eta vs tors. theta energy: -35.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -292.806392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.806392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.806392 (E_RNA) where: Base-Base interactions energy: -188.602 where: short stacking energy: -84.104 Base-Backbone interact. energy: -1.285 local terms energy: -102.918502 where: bonds (distance) C4'-P energy: -18.838 bonds (distance) P-C4' energy: -22.597 flat angles C4'-P-C4' energy: -22.526 flat angles P-C4'-P energy: -18.023 tors. eta vs tors. theta energy: -20.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -243.778253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.778253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.778253 (E_RNA) where: Base-Base interactions energy: -150.696 where: short stacking energy: -76.599 Base-Backbone interact. energy: -0.217 local terms energy: -92.864795 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -25.180 flat angles C4'-P-C4' energy: -23.419 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -18.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -245.277466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.277466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.277466 (E_RNA) where: Base-Base interactions energy: -144.580 where: short stacking energy: -71.590 Base-Backbone interact. energy: -0.198 local terms energy: -100.499935 where: bonds (distance) C4'-P energy: -16.718 bonds (distance) P-C4' energy: -21.778 flat angles C4'-P-C4' energy: -19.429 flat angles P-C4'-P energy: -21.831 tors. eta vs tors. theta energy: -20.743 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: 380 Temperature: 1.300000 Total energy: -180.812048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.812048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.812048 (E_RNA) where: Base-Base interactions energy: -88.627 where: short stacking energy: -39.739 Base-Backbone interact. energy: -0.425 local terms energy: -91.759554 where: bonds (distance) C4'-P energy: -21.304 bonds (distance) P-C4' energy: -24.228 flat angles C4'-P-C4' energy: -26.690 flat angles P-C4'-P energy: -14.205 tors. eta vs tors. theta energy: -5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -117.699041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.699041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.699041 (E_RNA) where: Base-Base interactions energy: -47.309 where: short stacking energy: -38.119 Base-Backbone interact. energy: 0.498 local terms energy: -70.887961 where: bonds (distance) C4'-P energy: -22.018 bonds (distance) P-C4' energy: -25.805 flat angles C4'-P-C4' energy: -16.208 flat angles P-C4'-P energy: -11.133 tors. eta vs tors. theta energy: 4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -404.613962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.613962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.613962 (E_RNA) where: Base-Base interactions energy: -275.193 where: short stacking energy: -120.122 Base-Backbone interact. energy: 0.514 local terms energy: -129.934998 where: bonds (distance) C4'-P energy: -24.134 bonds (distance) P-C4' energy: -24.464 flat angles C4'-P-C4' energy: -29.642 flat angles P-C4'-P energy: -17.967 tors. eta vs tors. theta energy: -33.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -377.933832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.933832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.933832 (E_RNA) where: Base-Base interactions energy: -253.654 where: short stacking energy: -110.127 Base-Backbone interact. energy: -0.131 local terms energy: -124.148574 where: bonds (distance) C4'-P energy: -23.312 bonds (distance) P-C4' energy: -26.833 flat angles C4'-P-C4' energy: -27.824 flat angles P-C4'-P energy: -16.719 tors. eta vs tors. theta energy: -29.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -396.771021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.771021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.771021 (E_RNA) where: Base-Base interactions energy: -278.295 where: short stacking energy: -108.590 Base-Backbone interact. energy: -0.102 local terms energy: -118.373795 where: bonds (distance) C4'-P energy: -21.578 bonds (distance) P-C4' energy: -22.632 flat angles C4'-P-C4' energy: -24.579 flat angles P-C4'-P energy: -14.972 tors. eta vs tors. theta energy: -34.613 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: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -348.342215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.342215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.342215 (E_RNA) where: Base-Base interactions energy: -229.990 where: short stacking energy: -118.858 Base-Backbone interact. energy: -0.380 local terms energy: -117.972204 where: bonds (distance) C4'-P energy: -18.920 bonds (distance) P-C4' energy: -24.651 flat angles C4'-P-C4' energy: -24.547 flat angles P-C4'-P energy: -17.267 tors. eta vs tors. theta energy: -32.586 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: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -340.088879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.088879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.088879 (E_RNA) where: Base-Base interactions energy: -232.252 where: short stacking energy: -92.297 Base-Backbone interact. energy: -0.500 local terms energy: -107.337300 where: bonds (distance) C4'-P energy: -18.028 bonds (distance) P-C4' energy: -18.930 flat angles C4'-P-C4' energy: -24.287 flat angles P-C4'-P energy: -18.789 tors. eta vs tors. theta energy: -27.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -295.007970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.007970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.007970 (E_RNA) where: Base-Base interactions energy: -200.447 where: short stacking energy: -82.543 Base-Backbone interact. energy: -0.248 local terms energy: -94.312647 where: bonds (distance) C4'-P energy: -19.757 bonds (distance) P-C4' energy: -21.996 flat angles C4'-P-C4' energy: -22.619 flat angles P-C4'-P energy: -14.678 tors. eta vs tors. theta energy: -15.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -263.493994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.493994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.493994 (E_RNA) where: Base-Base interactions energy: -175.478 where: short stacking energy: -76.989 Base-Backbone interact. energy: -0.697 local terms energy: -87.318850 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -21.110 flat angles C4'-P-C4' energy: -20.229 flat angles P-C4'-P energy: -18.081 tors. eta vs tors. theta energy: -12.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -230.387439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.387439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.387439 (E_RNA) where: Base-Base interactions energy: -138.460 where: short stacking energy: -65.187 Base-Backbone interact. energy: 0.658 local terms energy: -92.585689 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -25.930 flat angles C4'-P-C4' energy: -25.069 flat angles P-C4'-P energy: -12.950 tors. eta vs tors. theta energy: -15.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -208.197704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.197704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.197704 (E_RNA) where: Base-Base interactions energy: -132.558 where: short stacking energy: -54.569 Base-Backbone interact. energy: -1.639 local terms energy: -74.000117 where: bonds (distance) C4'-P energy: -16.396 bonds (distance) P-C4' energy: -18.061 flat angles C4'-P-C4' energy: -20.701 flat angles P-C4'-P energy: -16.274 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: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -113.401110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.401110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.401110 (E_RNA) where: Base-Base interactions energy: -39.129 where: short stacking energy: -37.378 Base-Backbone interact. energy: 2.929 local terms energy: -77.201113 where: bonds (distance) C4'-P energy: -21.723 bonds (distance) P-C4' energy: -22.007 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -13.499 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -382.218153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.218153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.218153 (E_RNA) where: Base-Base interactions energy: -269.604 where: short stacking energy: -123.143 Base-Backbone interact. energy: -0.055 local terms energy: -112.559730 where: bonds (distance) C4'-P energy: -19.741 bonds (distance) P-C4' energy: -23.229 flat angles C4'-P-C4' energy: -22.467 flat angles P-C4'-P energy: -13.210 tors. eta vs tors. theta energy: -33.913 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: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -383.856199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.856199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.856199 (E_RNA) where: Base-Base interactions energy: -260.435 where: short stacking energy: -104.568 Base-Backbone interact. energy: -0.577 local terms energy: -122.843979 where: bonds (distance) C4'-P energy: -23.792 bonds (distance) P-C4' energy: -26.160 flat angles C4'-P-C4' energy: -22.685 flat angles P-C4'-P energy: -16.224 tors. eta vs tors. theta energy: -33.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -371.886372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.886372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.886372 (E_RNA) where: Base-Base interactions energy: -252.418 where: short stacking energy: -126.231 Base-Backbone interact. energy: -0.014 local terms energy: -119.454686 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -26.651 flat angles C4'-P-C4' energy: -24.407 flat angles P-C4'-P energy: -16.335 tors. eta vs tors. theta energy: -37.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -371.252181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.252181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.252181 (E_RNA) where: Base-Base interactions energy: -259.916 where: short stacking energy: -112.565 Base-Backbone interact. energy: -1.481 local terms energy: -109.855369 where: bonds (distance) C4'-P energy: -22.824 bonds (distance) P-C4' energy: -23.512 flat angles C4'-P-C4' energy: -19.776 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -32.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -340.977674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.977674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.977674 (E_RNA) where: Base-Base interactions energy: -227.834 where: short stacking energy: -106.840 Base-Backbone interact. energy: -0.154 local terms energy: -112.989757 where: bonds (distance) C4'-P energy: -24.438 bonds (distance) P-C4' energy: -24.505 flat angles C4'-P-C4' energy: -23.149 flat angles P-C4'-P energy: -13.752 tors. eta vs tors. theta energy: -27.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -274.908409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.908409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.908409 (E_RNA) where: Base-Base interactions energy: -175.583 where: short stacking energy: -89.805 Base-Backbone interact. energy: -0.041 local terms energy: -99.284411 where: bonds (distance) C4'-P energy: -20.891 bonds (distance) P-C4' energy: -18.522 flat angles C4'-P-C4' energy: -25.608 flat angles P-C4'-P energy: -11.249 tors. eta vs tors. theta energy: -23.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -264.580289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.580289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.580289 (E_RNA) where: Base-Base interactions energy: -157.719 where: short stacking energy: -81.599 Base-Backbone interact. energy: -0.121 local terms energy: -106.739860 where: bonds (distance) C4'-P energy: -25.734 bonds (distance) P-C4' energy: -25.624 flat angles C4'-P-C4' energy: -23.523 flat angles P-C4'-P energy: -12.844 tors. eta vs tors. theta energy: -19.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -232.086870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.086870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.086870 (E_RNA) where: Base-Base interactions energy: -134.205 where: short stacking energy: -73.944 Base-Backbone interact. energy: 0.802 local terms energy: -98.684123 where: bonds (distance) C4'-P energy: -25.254 bonds (distance) P-C4' energy: -19.227 flat angles C4'-P-C4' energy: -25.166 flat angles P-C4'-P energy: -11.774 tors. eta vs tors. theta energy: -17.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -178.599301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.599301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.599301 (E_RNA) where: Base-Base interactions energy: -89.928 where: short stacking energy: -58.704 Base-Backbone interact. energy: -0.240 local terms energy: -88.430565 where: bonds (distance) C4'-P energy: -17.392 bonds (distance) P-C4' energy: -26.943 flat angles C4'-P-C4' energy: -13.936 flat angles P-C4'-P energy: -21.860 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: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -123.137374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.137374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.137374 (E_RNA) where: Base-Base interactions energy: -42.546 where: short stacking energy: -43.044 Base-Backbone interact. energy: -0.322 local terms energy: -80.269499 where: bonds (distance) C4'-P energy: -21.090 bonds (distance) P-C4' energy: -23.143 flat angles C4'-P-C4' energy: -17.731 flat angles P-C4'-P energy: -12.094 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -392.358398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.358398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.358398 (E_RNA) where: Base-Base interactions energy: -264.478 where: short stacking energy: -120.069 Base-Backbone interact. energy: -0.312 local terms energy: -127.568780 where: bonds (distance) C4'-P energy: -24.079 bonds (distance) P-C4' energy: -25.646 flat angles C4'-P-C4' energy: -26.343 flat angles P-C4'-P energy: -17.775 tors. eta vs tors. theta energy: -33.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -374.987787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.987787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.987787 (E_RNA) where: Base-Base interactions energy: -242.933 where: short stacking energy: -122.123 Base-Backbone interact. energy: -0.102 local terms energy: -131.952170 where: bonds (distance) C4'-P energy: -22.475 bonds (distance) P-C4' energy: -22.702 flat angles C4'-P-C4' energy: -25.832 flat angles P-C4'-P energy: -22.858 tors. eta vs tors. theta energy: -38.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -378.206064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.206064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.206064 (E_RNA) where: Base-Base interactions energy: -249.998 where: short stacking energy: -110.104 Base-Backbone interact. energy: -1.109 local terms energy: -127.099612 where: bonds (distance) C4'-P energy: -26.138 bonds (distance) P-C4' energy: -27.004 flat angles C4'-P-C4' energy: -24.792 flat angles P-C4'-P energy: -15.797 tors. eta vs tors. theta energy: -33.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -377.328952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.328952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.328952 (E_RNA) where: Base-Base interactions energy: -269.364 where: short stacking energy: -106.347 Base-Backbone interact. energy: -0.148 local terms energy: -107.817542 where: bonds (distance) C4'-P energy: -22.506 bonds (distance) P-C4' energy: -19.957 flat angles C4'-P-C4' energy: -25.276 flat angles P-C4'-P energy: -12.508 tors. eta vs tors. theta energy: -27.571 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: 383 Temperature: 1.100000 Total energy: -330.075417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.075417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.075417 (E_RNA) where: Base-Base interactions energy: -220.744 where: short stacking energy: -97.514 Base-Backbone interact. energy: -0.559 local terms energy: -108.772206 where: bonds (distance) C4'-P energy: -18.446 bonds (distance) P-C4' energy: -21.187 flat angles C4'-P-C4' energy: -23.100 flat angles P-C4'-P energy: -20.388 tors. eta vs tors. theta energy: -25.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -277.547165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.547165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.547165 (E_RNA) where: Base-Base interactions energy: -184.022 where: short stacking energy: -80.496 Base-Backbone interact. energy: -0.002 local terms energy: -93.522798 where: bonds (distance) C4'-P energy: -17.106 bonds (distance) P-C4' energy: -19.067 flat angles C4'-P-C4' energy: -20.299 flat angles P-C4'-P energy: -14.536 tors. eta vs tors. theta energy: -22.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -256.080956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.080956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.080956 (E_RNA) where: Base-Base interactions energy: -157.689 where: short stacking energy: -79.440 Base-Backbone interact. energy: 0.280 local terms energy: -98.672038 where: bonds (distance) C4'-P energy: -16.602 bonds (distance) P-C4' energy: -25.846 flat angles C4'-P-C4' energy: -22.054 flat angles P-C4'-P energy: -17.232 tors. eta vs tors. theta energy: -16.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -238.151672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.151672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.151672 (E_RNA) where: Base-Base interactions energy: -148.455 where: short stacking energy: -69.542 Base-Backbone interact. energy: 0.194 local terms energy: -89.891109 where: bonds (distance) C4'-P energy: -26.905 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -19.471 flat angles P-C4'-P energy: -16.497 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -154.883686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.883686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.883686 (E_RNA) where: Base-Base interactions energy: -83.575 where: short stacking energy: -40.689 Base-Backbone interact. energy: 0.811 local terms energy: -72.119454 where: bonds (distance) C4'-P energy: -23.838 bonds (distance) P-C4' energy: -20.980 flat angles C4'-P-C4' energy: -8.818 flat angles P-C4'-P energy: -13.234 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: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -130.659547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.659547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.659547 (E_RNA) where: Base-Base interactions energy: -54.491 where: short stacking energy: -41.524 Base-Backbone interact. energy: 0.425 local terms energy: -76.594221 where: bonds (distance) C4'-P energy: -23.291 bonds (distance) P-C4' energy: -19.844 flat angles C4'-P-C4' energy: -20.717 flat angles P-C4'-P energy: -12.533 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -383.952492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.952492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.952492 (E_RNA) where: Base-Base interactions energy: -249.185 where: short stacking energy: -125.397 Base-Backbone interact. energy: -0.507 local terms energy: -134.260804 where: bonds (distance) C4'-P energy: -22.030 bonds (distance) P-C4' energy: -24.876 flat angles C4'-P-C4' energy: -26.904 flat angles P-C4'-P energy: -21.769 tors. eta vs tors. theta energy: -38.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -370.366576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.366576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.366576 (E_RNA) where: Base-Base interactions energy: -252.675 where: short stacking energy: -114.632 Base-Backbone interact. energy: -0.039 local terms energy: -117.652317 where: bonds (distance) C4'-P energy: -26.463 bonds (distance) P-C4' energy: -20.376 flat angles C4'-P-C4' energy: -26.988 flat angles P-C4'-P energy: -15.982 tors. eta vs tors. theta energy: -27.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -390.700385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.700385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.700385 (E_RNA) where: Base-Base interactions energy: -278.440 where: short stacking energy: -114.891 Base-Backbone interact. energy: 1.544 local terms energy: -113.804461 where: bonds (distance) C4'-P energy: -20.538 bonds (distance) P-C4' energy: -22.248 flat angles C4'-P-C4' energy: -22.153 flat angles P-C4'-P energy: -18.110 tors. eta vs tors. theta energy: -30.756 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: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -363.906007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.906007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.906007 (E_RNA) where: Base-Base interactions energy: -236.664 where: short stacking energy: -108.037 Base-Backbone interact. energy: -0.733 local terms energy: -126.508957 where: bonds (distance) C4'-P energy: -27.536 bonds (distance) P-C4' energy: -23.532 flat angles C4'-P-C4' energy: -25.668 flat angles P-C4'-P energy: -15.120 tors. eta vs tors. theta energy: -34.653 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: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -327.482790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.482790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.482790 (E_RNA) where: Base-Base interactions energy: -213.922 where: short stacking energy: -82.244 Base-Backbone interact. energy: -0.134 local terms energy: -113.426724 where: bonds (distance) C4'-P energy: -26.686 bonds (distance) P-C4' energy: -24.244 flat angles C4'-P-C4' energy: -24.571 flat angles P-C4'-P energy: -15.630 tors. eta vs tors. theta energy: -22.295 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: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -260.809399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.809399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.809399 (E_RNA) where: Base-Base interactions energy: -164.314 where: short stacking energy: -79.588 Base-Backbone interact. energy: -0.784 local terms energy: -95.710619 where: bonds (distance) C4'-P energy: -23.552 bonds (distance) P-C4' energy: -24.148 flat angles C4'-P-C4' energy: -17.719 flat angles P-C4'-P energy: -12.569 tors. eta vs tors. theta energy: -17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -248.555028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.555028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.555028 (E_RNA) where: Base-Base interactions energy: -160.544 where: short stacking energy: -81.534 Base-Backbone interact. energy: 1.134 local terms energy: -89.145086 where: bonds (distance) C4'-P energy: -22.985 bonds (distance) P-C4' energy: -24.732 flat angles C4'-P-C4' energy: -21.106 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -15.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -236.046764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.046764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.046764 (E_RNA) where: Base-Base interactions energy: -141.178 where: short stacking energy: -69.456 Base-Backbone interact. energy: -0.614 local terms energy: -94.255294 where: bonds (distance) C4'-P energy: -18.308 bonds (distance) P-C4' energy: -25.594 flat angles C4'-P-C4' energy: -19.160 flat angles P-C4'-P energy: -16.129 tors. eta vs tors. theta energy: -15.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -182.386401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.386401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.386401 (E_RNA) where: Base-Base interactions energy: -103.227 where: short stacking energy: -53.928 Base-Backbone interact. energy: 1.342 local terms energy: -80.501968 where: bonds (distance) C4'-P energy: -19.558 bonds (distance) P-C4' energy: -24.745 flat angles C4'-P-C4' energy: -19.056 flat angles P-C4'-P energy: -10.054 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: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -113.226796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.226796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.226796 (E_RNA) where: Base-Base interactions energy: -38.805 where: short stacking energy: -35.928 Base-Backbone interact. energy: -0.016 local terms energy: -74.406021 where: bonds (distance) C4'-P energy: -24.946 bonds (distance) P-C4' energy: -22.362 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -13.088 tors. eta vs tors. theta energy: -5.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -388.434479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.434479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.434479 (E_RNA) where: Base-Base interactions energy: -251.716 where: short stacking energy: -126.938 Base-Backbone interact. energy: -0.661 local terms energy: -136.057512 where: bonds (distance) C4'-P energy: -27.589 bonds (distance) P-C4' energy: -22.829 flat angles C4'-P-C4' energy: -28.110 flat angles P-C4'-P energy: -19.374 tors. eta vs tors. theta energy: -38.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -390.894037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.894037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.894037 (E_RNA) where: Base-Base interactions energy: -273.520 where: short stacking energy: -117.588 Base-Backbone interact. energy: -0.015 local terms energy: -117.359471 where: bonds (distance) C4'-P energy: -23.383 bonds (distance) P-C4' energy: -20.835 flat angles C4'-P-C4' energy: -27.657 flat angles P-C4'-P energy: -12.097 tors. eta vs tors. theta energy: -33.388 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: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -355.230782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.230782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.230782 (E_RNA) where: Base-Base interactions energy: -243.664 where: short stacking energy: -99.024 Base-Backbone interact. energy: -0.653 local terms energy: -110.913250 where: bonds (distance) C4'-P energy: -22.149 bonds (distance) P-C4' energy: -21.802 flat angles C4'-P-C4' energy: -22.723 flat angles P-C4'-P energy: -17.382 tors. eta vs tors. theta energy: -26.857 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: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -346.717365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.717365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.717365 (E_RNA) where: Base-Base interactions energy: -229.607 where: short stacking energy: -103.148 Base-Backbone interact. energy: -0.226 local terms energy: -116.884714 where: bonds (distance) C4'-P energy: -19.475 bonds (distance) P-C4' energy: -27.030 flat angles C4'-P-C4' energy: -24.764 flat angles P-C4'-P energy: -16.357 tors. eta vs tors. theta energy: -29.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -344.758097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.758097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.758097 (E_RNA) where: Base-Base interactions energy: -238.320 where: short stacking energy: -96.302 Base-Backbone interact. energy: -0.470 local terms energy: -105.968142 where: bonds (distance) C4'-P energy: -19.157 bonds (distance) P-C4' energy: -16.031 flat angles C4'-P-C4' energy: -22.901 flat angles P-C4'-P energy: -19.556 tors. eta vs tors. theta energy: -28.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -245.158630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.158630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.158630 (E_RNA) where: Base-Base interactions energy: -155.154 where: short stacking energy: -67.387 Base-Backbone interact. energy: 2.760 local terms energy: -92.764418 where: bonds (distance) C4'-P energy: -19.455 bonds (distance) P-C4' energy: -26.495 flat angles C4'-P-C4' energy: -24.771 flat angles P-C4'-P energy: -12.907 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: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -255.587804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.587804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.587804 (E_RNA) where: Base-Base interactions energy: -163.780 where: short stacking energy: -88.045 Base-Backbone interact. energy: -0.449 local terms energy: -91.358721 where: bonds (distance) C4'-P energy: -23.415 bonds (distance) P-C4' energy: -22.237 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -19.460 tors. eta vs tors. theta energy: -15.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -196.020910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.020910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.020910 (E_RNA) where: Base-Base interactions energy: -103.313 where: short stacking energy: -66.930 Base-Backbone interact. energy: -0.797 local terms energy: -91.910299 where: bonds (distance) C4'-P energy: -22.399 bonds (distance) P-C4' energy: -17.617 flat angles C4'-P-C4' energy: -21.779 flat angles P-C4'-P energy: -15.834 tors. eta vs tors. theta energy: -14.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -243.062446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.062446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.062446 (E_RNA) where: Base-Base interactions energy: -136.457 where: short stacking energy: -74.196 Base-Backbone interact. energy: -1.416 local terms energy: -105.188736 where: bonds (distance) C4'-P energy: -20.018 bonds (distance) P-C4' energy: -25.998 flat angles C4'-P-C4' energy: -23.236 flat angles P-C4'-P energy: -17.599 tors. eta vs tors. theta energy: -18.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -127.255649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.255649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.255649 (E_RNA) where: Base-Base interactions energy: -59.055 where: short stacking energy: -37.425 Base-Backbone interact. energy: 1.435 local terms energy: -69.634969 where: bonds (distance) C4'-P energy: -18.547 bonds (distance) P-C4' energy: -21.238 flat angles C4'-P-C4' energy: -21.674 flat angles P-C4'-P energy: -12.999 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: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -387.515736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.515736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.515736 (E_RNA) where: Base-Base interactions energy: -266.435 where: short stacking energy: -111.271 Base-Backbone interact. energy: -0.042 local terms energy: -121.038559 where: bonds (distance) C4'-P energy: -27.258 bonds (distance) P-C4' energy: -22.015 flat angles C4'-P-C4' energy: -25.427 flat angles P-C4'-P energy: -13.606 tors. eta vs tors. theta energy: -32.733 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: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -368.099382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.099382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.099382 (E_RNA) where: Base-Base interactions energy: -250.317 where: short stacking energy: -128.525 Base-Backbone interact. energy: -0.631 local terms energy: -117.150864 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -24.578 flat angles C4'-P-C4' energy: -26.438 flat angles P-C4'-P energy: -15.590 tors. eta vs tors. theta energy: -35.531 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: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -365.327392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.327392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.327392 (E_RNA) where: Base-Base interactions energy: -254.513 where: short stacking energy: -104.908 Base-Backbone interact. energy: -0.891 local terms energy: -109.922647 where: bonds (distance) C4'-P energy: -20.171 bonds (distance) P-C4' energy: -23.985 flat angles C4'-P-C4' energy: -27.292 flat angles P-C4'-P energy: -12.555 tors. eta vs tors. theta energy: -25.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -349.295838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.295838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.295838 (E_RNA) where: Base-Base interactions energy: -236.900 where: short stacking energy: -101.794 Base-Backbone interact. energy: -0.246 local terms energy: -112.150486 where: bonds (distance) C4'-P energy: -23.089 bonds (distance) P-C4' energy: -24.471 flat angles C4'-P-C4' energy: -23.613 flat angles P-C4'-P energy: -13.066 tors. eta vs tors. theta energy: -27.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -337.376827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.376827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.376827 (E_RNA) where: Base-Base interactions energy: -220.476 where: short stacking energy: -93.230 Base-Backbone interact. energy: -0.298 local terms energy: -116.602980 where: bonds (distance) C4'-P energy: -25.826 bonds (distance) P-C4' energy: -22.308 flat angles C4'-P-C4' energy: -24.445 flat angles P-C4'-P energy: -17.998 tors. eta vs tors. theta energy: -26.026 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: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -273.293527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.293527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.293527 (E_RNA) where: Base-Base interactions energy: -169.747 where: short stacking energy: -82.701 Base-Backbone interact. energy: -0.827 local terms energy: -102.718840 where: bonds (distance) C4'-P energy: -19.473 bonds (distance) P-C4' energy: -22.303 flat angles C4'-P-C4' energy: -21.630 flat angles P-C4'-P energy: -16.472 tors. eta vs tors. theta energy: -22.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -257.611269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.611269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.611269 (E_RNA) where: Base-Base interactions energy: -170.316 where: short stacking energy: -73.662 Base-Backbone interact. energy: 3.188 local terms energy: -90.482694 where: bonds (distance) C4'-P energy: -18.332 bonds (distance) P-C4' energy: -23.295 flat angles C4'-P-C4' energy: -19.853 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -18.848 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: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -198.872071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.872071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.872071 (E_RNA) where: Base-Base interactions energy: -106.756 where: short stacking energy: -52.882 Base-Backbone interact. energy: 0.276 local terms energy: -92.391988 where: bonds (distance) C4'-P energy: -23.416 bonds (distance) P-C4' energy: -24.518 flat angles C4'-P-C4' energy: -21.683 flat angles P-C4'-P energy: -14.942 tors. eta vs tors. theta energy: -7.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -230.837370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.837370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.837370 (E_RNA) where: Base-Base interactions energy: -139.156 where: short stacking energy: -59.314 Base-Backbone interact. energy: -0.477 local terms energy: -91.204606 where: bonds (distance) C4'-P energy: -19.733 bonds (distance) P-C4' energy: -28.121 flat angles C4'-P-C4' energy: -23.335 flat angles P-C4'-P energy: -12.918 tors. eta vs tors. theta energy: -7.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -106.025069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.025069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.025069 (E_RNA) where: Base-Base interactions energy: -29.175 where: short stacking energy: -28.187 Base-Backbone interact. energy: -1.635 local terms energy: -75.214255 where: bonds (distance) C4'-P energy: -23.366 bonds (distance) P-C4' energy: -22.303 flat angles C4'-P-C4' energy: -21.568 flat angles P-C4'-P energy: -12.927 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: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -382.856276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.856276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.856276 (E_RNA) where: Base-Base interactions energy: -257.675 where: short stacking energy: -104.273 Base-Backbone interact. energy: -0.454 local terms energy: -124.726785 where: bonds (distance) C4'-P energy: -22.948 bonds (distance) P-C4' energy: -25.922 flat angles C4'-P-C4' energy: -27.388 flat angles P-C4'-P energy: -16.563 tors. eta vs tors. theta energy: -31.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -380.678214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.678214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.678214 (E_RNA) where: Base-Base interactions energy: -253.837 where: short stacking energy: -128.824 Base-Backbone interact. energy: -0.429 local terms energy: -126.411672 where: bonds (distance) C4'-P energy: -26.371 bonds (distance) P-C4' energy: -21.970 flat angles C4'-P-C4' energy: -24.742 flat angles P-C4'-P energy: -13.649 tors. eta vs tors. theta energy: -39.680 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: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -385.282043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.282043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.282043 (E_RNA) where: Base-Base interactions energy: -271.027 where: short stacking energy: -109.263 Base-Backbone interact. energy: -0.139 local terms energy: -114.116278 where: bonds (distance) C4'-P energy: -19.612 bonds (distance) P-C4' energy: -25.733 flat angles C4'-P-C4' energy: -23.569 flat angles P-C4'-P energy: -17.330 tors. eta vs tors. theta energy: -27.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -353.907714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.907714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.907714 (E_RNA) where: Base-Base interactions energy: -234.168 where: short stacking energy: -102.638 Base-Backbone interact. energy: -1.164 local terms energy: -118.575767 where: bonds (distance) C4'-P energy: -26.624 bonds (distance) P-C4' energy: -18.165 flat angles C4'-P-C4' energy: -25.103 flat angles P-C4'-P energy: -19.957 tors. eta vs tors. theta energy: -28.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -349.567458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.567458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.567458 (E_RNA) where: Base-Base interactions energy: -227.540 where: short stacking energy: -98.187 Base-Backbone interact. energy: 0.152 local terms energy: -122.179463 where: bonds (distance) C4'-P energy: -26.907 bonds (distance) P-C4' energy: -24.342 flat angles C4'-P-C4' energy: -22.541 flat angles P-C4'-P energy: -20.666 tors. eta vs tors. theta energy: -27.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -259.933006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.933006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.933006 (E_RNA) where: Base-Base interactions energy: -161.517 where: short stacking energy: -87.956 Base-Backbone interact. energy: -0.368 local terms energy: -98.048375 where: bonds (distance) C4'-P energy: -17.761 bonds (distance) P-C4' energy: -22.573 flat angles C4'-P-C4' energy: -20.488 flat angles P-C4'-P energy: -17.031 tors. eta vs tors. theta energy: -20.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -276.848871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.848871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.848871 (E_RNA) where: Base-Base interactions energy: -170.254 where: short stacking energy: -79.807 Base-Backbone interact. energy: -0.508 local terms energy: -106.086787 where: bonds (distance) C4'-P energy: -23.408 bonds (distance) P-C4' energy: -20.334 flat angles C4'-P-C4' energy: -25.695 flat angles P-C4'-P energy: -16.454 tors. eta vs tors. theta energy: -20.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -253.795191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.795191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.795191 (E_RNA) where: Base-Base interactions energy: -166.445 where: short stacking energy: -90.461 Base-Backbone interact. energy: 0.966 local terms energy: -88.315884 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -23.066 flat angles C4'-P-C4' energy: -19.701 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -21.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -194.282745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.282745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.282745 (E_RNA) where: Base-Base interactions energy: -109.000 where: short stacking energy: -63.792 Base-Backbone interact. energy: -0.330 local terms energy: -84.952416 where: bonds (distance) C4'-P energy: -23.358 bonds (distance) P-C4' energy: -17.940 flat angles C4'-P-C4' energy: -22.045 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -13.724 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: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -129.285646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.285646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.285646 (E_RNA) where: Base-Base interactions energy: -44.180 where: short stacking energy: -43.391 Base-Backbone interact. energy: 1.472 local terms energy: -86.577247 where: bonds (distance) C4'-P energy: -21.773 bonds (distance) P-C4' energy: -19.976 flat angles C4'-P-C4' energy: -23.555 flat angles P-C4'-P energy: -14.514 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: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -374.373867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.373867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.373867 (E_RNA) where: Base-Base interactions energy: -251.085 where: short stacking energy: -126.314 Base-Backbone interact. energy: -0.053 local terms energy: -123.235399 where: bonds (distance) C4'-P energy: -24.791 bonds (distance) P-C4' energy: -22.837 flat angles C4'-P-C4' energy: -25.977 flat angles P-C4'-P energy: -17.597 tors. eta vs tors. theta energy: -32.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -373.614861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.614861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.614861 (E_RNA) where: Base-Base interactions energy: -241.714 where: short stacking energy: -114.781 Base-Backbone interact. energy: -1.148 local terms energy: -130.753084 where: bonds (distance) C4'-P energy: -27.213 bonds (distance) P-C4' energy: -24.116 flat angles C4'-P-C4' energy: -26.317 flat angles P-C4'-P energy: -19.237 tors. eta vs tors. theta energy: -33.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -378.802711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.802711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.802711 (E_RNA) where: Base-Base interactions energy: -253.461 where: short stacking energy: -113.701 Base-Backbone interact. energy: -0.899 local terms energy: -124.442969 where: bonds (distance) C4'-P energy: -19.827 bonds (distance) P-C4' energy: -27.270 flat angles C4'-P-C4' energy: -25.434 flat angles P-C4'-P energy: -15.978 tors. eta vs tors. theta energy: -35.934 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: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -342.560084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.560084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.560084 (E_RNA) where: Base-Base interactions energy: -240.354 where: short stacking energy: -111.400 Base-Backbone interact. energy: -1.066 local terms energy: -101.140009 where: bonds (distance) C4'-P energy: -19.838 bonds (distance) P-C4' energy: -18.157 flat angles C4'-P-C4' energy: -20.737 flat angles P-C4'-P energy: -13.632 tors. eta vs tors. theta energy: -28.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -348.783198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.783198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.783198 (E_RNA) where: Base-Base interactions energy: -241.279 where: short stacking energy: -98.956 Base-Backbone interact. energy: -0.133 local terms energy: -107.371124 where: bonds (distance) C4'-P energy: -22.336 bonds (distance) P-C4' energy: -20.045 flat angles C4'-P-C4' energy: -23.252 flat angles P-C4'-P energy: -16.068 tors. eta vs tors. theta energy: -25.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -252.279219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.279219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.279219 (E_RNA) where: Base-Base interactions energy: -152.594 where: short stacking energy: -72.688 Base-Backbone interact. energy: -0.062 local terms energy: -99.623204 where: bonds (distance) C4'-P energy: -21.846 bonds (distance) P-C4' energy: -22.606 flat angles C4'-P-C4' energy: -23.236 flat angles P-C4'-P energy: -16.764 tors. eta vs tors. theta energy: -15.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -273.959379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.959379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.959379 (E_RNA) where: Base-Base interactions energy: -173.892 where: short stacking energy: -76.993 Base-Backbone interact. energy: -0.530 local terms energy: -99.537696 where: bonds (distance) C4'-P energy: -25.413 bonds (distance) P-C4' energy: -20.558 flat angles C4'-P-C4' energy: -22.824 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -18.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -254.391417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.391417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.391417 (E_RNA) where: Base-Base interactions energy: -165.441 where: short stacking energy: -85.295 Base-Backbone interact. energy: 1.022 local terms energy: -89.971778 where: bonds (distance) C4'-P energy: -18.590 bonds (distance) P-C4' energy: -21.775 flat angles C4'-P-C4' energy: -22.035 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -17.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -189.006803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.006803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.006803 (E_RNA) where: Base-Base interactions energy: -114.855 where: short stacking energy: -66.040 Base-Backbone interact. energy: -0.393 local terms energy: -73.758838 where: bonds (distance) C4'-P energy: -22.600 bonds (distance) P-C4' energy: -21.142 flat angles C4'-P-C4' energy: -16.545 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -127.733265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.733265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.733265 (E_RNA) where: Base-Base interactions energy: -51.324 where: short stacking energy: -51.068 Base-Backbone interact. energy: -0.412 local terms energy: -75.997867 where: bonds (distance) C4'-P energy: -21.038 bonds (distance) P-C4' energy: -18.567 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -10.803 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: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -374.608578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.608578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.608578 (E_RNA) where: Base-Base interactions energy: -251.735 where: short stacking energy: -126.421 Base-Backbone interact. energy: -0.793 local terms energy: -122.080083 where: bonds (distance) C4'-P energy: -22.220 bonds (distance) P-C4' energy: -27.987 flat angles C4'-P-C4' energy: -23.566 flat angles P-C4'-P energy: -15.330 tors. eta vs tors. theta energy: -32.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -392.337974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.337974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.337974 (E_RNA) where: Base-Base interactions energy: -268.554 where: short stacking energy: -123.349 Base-Backbone interact. energy: -2.422 local terms energy: -121.361659 where: bonds (distance) C4'-P energy: -21.512 bonds (distance) P-C4' energy: -24.158 flat angles C4'-P-C4' energy: -21.506 flat angles P-C4'-P energy: -16.807 tors. eta vs tors. theta energy: -37.379 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: 389 Temperature: 1.000000 Total energy: -371.291901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.291901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.291901 (E_RNA) where: Base-Base interactions energy: -245.947 where: short stacking energy: -105.734 Base-Backbone interact. energy: -1.444 local terms energy: -123.900763 where: bonds (distance) C4'-P energy: -24.791 bonds (distance) P-C4' energy: -21.450 flat angles C4'-P-C4' energy: -27.214 flat angles P-C4'-P energy: -20.212 tors. eta vs tors. theta energy: -30.235 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: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -350.933123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.933123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.933123 (E_RNA) where: Base-Base interactions energy: -234.323 where: short stacking energy: -104.560 Base-Backbone interact. energy: -0.126 local terms energy: -116.484149 where: bonds (distance) C4'-P energy: -26.224 bonds (distance) P-C4' energy: -19.703 flat angles C4'-P-C4' energy: -29.408 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -31.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -351.977145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.977145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.977145 (E_RNA) where: Base-Base interactions energy: -235.524 where: short stacking energy: -98.353 Base-Backbone interact. energy: -0.879 local terms energy: -115.573560 where: bonds (distance) C4'-P energy: -19.165 bonds (distance) P-C4' energy: -26.293 flat angles C4'-P-C4' energy: -28.377 flat angles P-C4'-P energy: -12.928 tors. eta vs tors. theta energy: -28.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -294.338369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.338369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.338369 (E_RNA) where: Base-Base interactions energy: -187.618 where: short stacking energy: -81.964 Base-Backbone interact. energy: -1.098 local terms energy: -105.622490 where: bonds (distance) C4'-P energy: -26.090 bonds (distance) P-C4' energy: -22.383 flat angles C4'-P-C4' energy: -25.569 flat angles P-C4'-P energy: -12.227 tors. eta vs tors. theta energy: -19.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -270.446704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.446704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.446704 (E_RNA) where: Base-Base interactions energy: -170.102 where: short stacking energy: -91.858 Base-Backbone interact. energy: -0.655 local terms energy: -99.689166 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -23.109 flat angles C4'-P-C4' energy: -23.426 flat angles P-C4'-P energy: -14.926 tors. eta vs tors. theta energy: -23.625 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: 8, replica: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -238.742527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.742527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.742527 (E_RNA) where: Base-Base interactions energy: -139.047 where: short stacking energy: -67.563 Base-Backbone interact. energy: -0.043 local terms energy: -99.652201 where: bonds (distance) C4'-P energy: -21.686 bonds (distance) P-C4' energy: -25.028 flat angles C4'-P-C4' energy: -22.237 flat angles P-C4'-P energy: -15.974 tors. eta vs tors. theta energy: -14.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -179.944321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.944321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.944321 (E_RNA) where: Base-Base interactions energy: -92.961 where: short stacking energy: -48.637 Base-Backbone interact. energy: -0.419 local terms energy: -86.565124 where: bonds (distance) C4'-P energy: -22.754 bonds (distance) P-C4' energy: -25.132 flat angles C4'-P-C4' energy: -20.932 flat angles P-C4'-P energy: -12.944 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: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -121.732883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.732883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.732883 (E_RNA) where: Base-Base interactions energy: -45.785 where: short stacking energy: -44.136 Base-Backbone interact. energy: 1.498 local terms energy: -77.446101 where: bonds (distance) C4'-P energy: -19.777 bonds (distance) P-C4' energy: -15.758 flat angles C4'-P-C4' energy: -18.008 flat angles P-C4'-P energy: -15.076 tors. eta vs tors. theta energy: -8.828 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: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -416.124775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.124775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.124775 (E_RNA) where: Base-Base interactions energy: -284.433 where: short stacking energy: -130.079 Base-Backbone interact. energy: -1.519 local terms energy: -130.172651 where: bonds (distance) C4'-P energy: -24.299 bonds (distance) P-C4' energy: -25.673 flat angles C4'-P-C4' energy: -25.990 flat angles P-C4'-P energy: -17.532 tors. eta vs tors. theta energy: -36.679 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: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -359.480073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.480073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.480073 (E_RNA) where: Base-Base interactions energy: -233.487 where: short stacking energy: -111.025 Base-Backbone interact. energy: -0.089 local terms energy: -125.904383 where: bonds (distance) C4'-P energy: -25.331 bonds (distance) P-C4' energy: -22.945 flat angles C4'-P-C4' energy: -24.724 flat angles P-C4'-P energy: -20.072 tors. eta vs tors. theta energy: -32.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -381.472398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.472398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.472398 (E_RNA) where: Base-Base interactions energy: -256.841 where: short stacking energy: -107.184 Base-Backbone interact. energy: -0.001 local terms energy: -124.630878 where: bonds (distance) C4'-P energy: -26.621 bonds (distance) P-C4' energy: -19.425 flat angles C4'-P-C4' energy: -25.827 flat angles P-C4'-P energy: -19.305 tors. eta vs tors. theta energy: -33.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -359.734870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.734870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.734870 (E_RNA) where: Base-Base interactions energy: -234.715 where: short stacking energy: -101.319 Base-Backbone interact. energy: -1.019 local terms energy: -124.000915 where: bonds (distance) C4'-P energy: -23.319 bonds (distance) P-C4' energy: -23.658 flat angles C4'-P-C4' energy: -28.686 flat angles P-C4'-P energy: -17.215 tors. eta vs tors. theta energy: -31.123 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: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -353.654954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.654954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.654954 (E_RNA) where: Base-Base interactions energy: -242.704 where: short stacking energy: -105.052 Base-Backbone interact. energy: -0.049 local terms energy: -110.902011 where: bonds (distance) C4'-P energy: -21.856 bonds (distance) P-C4' energy: -17.167 flat angles C4'-P-C4' energy: -23.976 flat angles P-C4'-P energy: -17.188 tors. eta vs tors. theta energy: -30.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -299.793188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.793188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.793188 (E_RNA) where: Base-Base interactions energy: -200.286 where: short stacking energy: -105.019 Base-Backbone interact. energy: -0.254 local terms energy: -99.253336 where: bonds (distance) C4'-P energy: -23.473 bonds (distance) P-C4' energy: -22.044 flat angles C4'-P-C4' energy: -16.328 flat angles P-C4'-P energy: -17.385 tors. eta vs tors. theta energy: -20.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -280.259088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.259088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.259088 (E_RNA) where: Base-Base interactions energy: -169.351 where: short stacking energy: -88.073 Base-Backbone interact. energy: -0.483 local terms energy: -110.425562 where: bonds (distance) C4'-P energy: -20.754 bonds (distance) P-C4' energy: -27.099 flat angles C4'-P-C4' energy: -24.377 flat angles P-C4'-P energy: -13.489 tors. eta vs tors. theta energy: -24.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -230.429320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.429320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.429320 (E_RNA) where: Base-Base interactions energy: -139.409 where: short stacking energy: -66.363 Base-Backbone interact. energy: -0.586 local terms energy: -90.433842 where: bonds (distance) C4'-P energy: -17.193 bonds (distance) P-C4' energy: -25.290 flat angles C4'-P-C4' energy: -24.605 flat angles P-C4'-P energy: -16.096 tors. eta vs tors. theta energy: -7.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -115.582897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.582897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.582897 (E_RNA) where: Base-Base interactions energy: -43.207 where: short stacking energy: -44.657 Base-Backbone interact. energy: 5.603 local terms energy: -77.978553 where: bonds (distance) C4'-P energy: -21.420 bonds (distance) P-C4' energy: -20.565 flat angles C4'-P-C4' energy: -23.877 flat angles P-C4'-P energy: -11.852 tors. eta vs tors. theta energy: -0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -179.904536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.904536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.904536 (E_RNA) where: Base-Base interactions energy: -100.054 where: short stacking energy: -56.482 Base-Backbone interact. energy: -1.247 local terms energy: -78.603294 where: bonds (distance) C4'-P energy: -23.140 bonds (distance) P-C4' energy: -20.355 flat angles C4'-P-C4' energy: -14.958 flat angles P-C4'-P energy: -11.977 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: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -406.103343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.103343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.103343 (E_RNA) where: Base-Base interactions energy: -279.165 where: short stacking energy: -126.034 Base-Backbone interact. energy: -0.204 local terms energy: -126.734679 where: bonds (distance) C4'-P energy: -21.440 bonds (distance) P-C4' energy: -25.929 flat angles C4'-P-C4' energy: -21.861 flat angles P-C4'-P energy: -18.365 tors. eta vs tors. theta energy: -39.140 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: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -396.472496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.472496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.472496 (E_RNA) where: Base-Base interactions energy: -270.496 where: short stacking energy: -117.155 Base-Backbone interact. energy: -0.802 local terms energy: -125.174356 where: bonds (distance) C4'-P energy: -22.381 bonds (distance) P-C4' energy: -23.777 flat angles C4'-P-C4' energy: -24.361 flat angles P-C4'-P energy: -21.720 tors. eta vs tors. theta energy: -32.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -371.356317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.356317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.356317 (E_RNA) where: Base-Base interactions energy: -242.729 where: short stacking energy: -117.355 Base-Backbone interact. energy: -0.089 local terms energy: -128.538105 where: bonds (distance) C4'-P energy: -26.107 bonds (distance) P-C4' energy: -24.009 flat angles C4'-P-C4' energy: -26.257 flat angles P-C4'-P energy: -17.392 tors. eta vs tors. theta energy: -34.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -356.159533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.159533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.159533 (E_RNA) where: Base-Base interactions energy: -245.165 where: short stacking energy: -99.280 Base-Backbone interact. energy: 0.549 local terms energy: -111.543376 where: bonds (distance) C4'-P energy: -19.670 bonds (distance) P-C4' energy: -19.347 flat angles C4'-P-C4' energy: -25.071 flat angles P-C4'-P energy: -19.208 tors. eta vs tors. theta energy: -28.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -358.021425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.021425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.021425 (E_RNA) where: Base-Base interactions energy: -247.359 where: short stacking energy: -109.355 Base-Backbone interact. energy: -0.107 local terms energy: -110.554905 where: bonds (distance) C4'-P energy: -17.403 bonds (distance) P-C4' energy: -23.141 flat angles C4'-P-C4' energy: -26.111 flat angles P-C4'-P energy: -12.313 tors. eta vs tors. theta energy: -31.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -268.646370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.646370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.646370 (E_RNA) where: Base-Base interactions energy: -159.456 where: short stacking energy: -81.956 Base-Backbone interact. energy: -2.187 local terms energy: -107.003516 where: bonds (distance) C4'-P energy: -24.343 bonds (distance) P-C4' energy: -22.972 flat angles C4'-P-C4' energy: -20.532 flat angles P-C4'-P energy: -20.741 tors. eta vs tors. theta energy: -18.416 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: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -258.717443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.717443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.717443 (E_RNA) where: Base-Base interactions energy: -169.274 where: short stacking energy: -78.116 Base-Backbone interact. energy: -0.610 local terms energy: -88.833521 where: bonds (distance) C4'-P energy: -23.105 bonds (distance) P-C4' energy: -18.423 flat angles C4'-P-C4' energy: -15.549 flat angles P-C4'-P energy: -13.834 tors. eta vs tors. theta energy: -17.922 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: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -241.156586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.156586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.156586 (E_RNA) where: Base-Base interactions energy: -149.545 where: short stacking energy: -71.312 Base-Backbone interact. energy: -1.247 local terms energy: -90.364669 where: bonds (distance) C4'-P energy: -22.546 bonds (distance) P-C4' energy: -21.675 flat angles C4'-P-C4' energy: -24.095 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -9.482 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: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -121.262344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.262344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.262344 (E_RNA) where: Base-Base interactions energy: -58.290 where: short stacking energy: -44.585 Base-Backbone interact. energy: -0.367 local terms energy: -62.605356 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -20.515 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -183.771724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.771724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.771724 (E_RNA) where: Base-Base interactions energy: -110.141 where: short stacking energy: -54.402 Base-Backbone interact. energy: -0.165 local terms energy: -73.466040 where: bonds (distance) C4'-P energy: -20.958 bonds (distance) P-C4' energy: -18.550 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -14.524 tors. eta vs tors. theta energy: -10.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -401.374189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.374189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.374189 (E_RNA) where: Base-Base interactions energy: -270.791 where: short stacking energy: -126.079 Base-Backbone interact. energy: -1.428 local terms energy: -129.155356 where: bonds (distance) C4'-P energy: -26.214 bonds (distance) P-C4' energy: -25.927 flat angles C4'-P-C4' energy: -20.719 flat angles P-C4'-P energy: -19.540 tors. eta vs tors. theta energy: -36.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -366.042657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.042657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.042657 (E_RNA) where: Base-Base interactions energy: -244.409 where: short stacking energy: -111.393 Base-Backbone interact. energy: -0.878 local terms energy: -120.755432 where: bonds (distance) C4'-P energy: -25.813 bonds (distance) P-C4' energy: -18.451 flat angles C4'-P-C4' energy: -28.332 flat angles P-C4'-P energy: -14.195 tors. eta vs tors. theta energy: -33.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -369.453618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.453618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.453618 (E_RNA) where: Base-Base interactions energy: -246.150 where: short stacking energy: -122.086 Base-Backbone interact. energy: -0.043 local terms energy: -123.260891 where: bonds (distance) C4'-P energy: -19.382 bonds (distance) P-C4' energy: -22.081 flat angles C4'-P-C4' energy: -24.038 flat angles P-C4'-P energy: -20.391 tors. eta vs tors. theta energy: -37.370 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: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -355.536474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.536474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.536474 (E_RNA) where: Base-Base interactions energy: -231.730 where: short stacking energy: -104.208 Base-Backbone interact. energy: -1.532 local terms energy: -122.274909 where: bonds (distance) C4'-P energy: -20.663 bonds (distance) P-C4' energy: -22.816 flat angles C4'-P-C4' energy: -27.784 flat angles P-C4'-P energy: -17.016 tors. eta vs tors. theta energy: -33.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -351.133953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.133953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.133953 (E_RNA) where: Base-Base interactions energy: -231.758 where: short stacking energy: -106.612 Base-Backbone interact. energy: -1.378 local terms energy: -117.997928 where: bonds (distance) C4'-P energy: -21.749 bonds (distance) P-C4' energy: -19.546 flat angles C4'-P-C4' energy: -25.173 flat angles P-C4'-P energy: -22.052 tors. eta vs tors. theta energy: -29.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -243.609850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.609850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.609850 (E_RNA) where: Base-Base interactions energy: -152.594 where: short stacking energy: -76.883 Base-Backbone interact. energy: 0.167 local terms energy: -91.182717 where: bonds (distance) C4'-P energy: -18.519 bonds (distance) P-C4' energy: -16.497 flat angles C4'-P-C4' energy: -19.469 flat angles P-C4'-P energy: -18.109 tors. eta vs tors. theta energy: -18.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -240.342413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.342413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.342413 (E_RNA) where: Base-Base interactions energy: -144.162 where: short stacking energy: -59.614 Base-Backbone interact. energy: -0.278 local terms energy: -95.902424 where: bonds (distance) C4'-P energy: -16.161 bonds (distance) P-C4' energy: -26.149 flat angles C4'-P-C4' energy: -23.790 flat angles P-C4'-P energy: -20.286 tors. eta vs tors. theta energy: -9.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -251.524926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.524926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.524926 (E_RNA) where: Base-Base interactions energy: -150.726 where: short stacking energy: -74.174 Base-Backbone interact. energy: -0.232 local terms energy: -100.567174 where: bonds (distance) C4'-P energy: -22.801 bonds (distance) P-C4' energy: -25.866 flat angles C4'-P-C4' energy: -18.608 flat angles P-C4'-P energy: -15.262 tors. eta vs tors. theta energy: -18.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -211.389147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.389147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.389147 (E_RNA) where: Base-Base interactions energy: -121.827 where: short stacking energy: -68.148 Base-Backbone interact. energy: 1.025 local terms energy: -90.586685 where: bonds (distance) C4'-P energy: -18.320 bonds (distance) P-C4' energy: -19.887 flat angles C4'-P-C4' energy: -21.349 flat angles P-C4'-P energy: -18.097 tors. eta vs tors. theta energy: -12.934 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: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -154.347148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.347148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.347148 (E_RNA) where: Base-Base interactions energy: -76.993 where: short stacking energy: -38.656 Base-Backbone interact. energy: -0.905 local terms energy: -76.449707 where: bonds (distance) C4'-P energy: -21.996 bonds (distance) P-C4' energy: -28.439 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -9.986 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -406.979770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.979770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.979770 (E_RNA) where: Base-Base interactions energy: -276.252 where: short stacking energy: -120.310 Base-Backbone interact. energy: -0.705 local terms energy: -130.021950 where: bonds (distance) C4'-P energy: -22.120 bonds (distance) P-C4' energy: -26.757 flat angles C4'-P-C4' energy: -24.160 flat angles P-C4'-P energy: -21.068 tors. eta vs tors. theta energy: -35.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -367.485210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.485210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.485210 (E_RNA) where: Base-Base interactions energy: -237.269 where: short stacking energy: -112.294 Base-Backbone interact. energy: -0.072 local terms energy: -130.143657 where: bonds (distance) C4'-P energy: -26.158 bonds (distance) P-C4' energy: -26.360 flat angles C4'-P-C4' energy: -27.034 flat angles P-C4'-P energy: -18.961 tors. eta vs tors. theta energy: -31.630 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: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -364.221630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.221630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.221630 (E_RNA) where: Base-Base interactions energy: -251.781 where: short stacking energy: -113.378 Base-Backbone interact. energy: -0.557 local terms energy: -111.883630 where: bonds (distance) C4'-P energy: -21.086 bonds (distance) P-C4' energy: -24.692 flat angles C4'-P-C4' energy: -21.253 flat angles P-C4'-P energy: -15.309 tors. eta vs tors. theta energy: -29.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -384.136785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.136785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.136785 (E_RNA) where: Base-Base interactions energy: -267.205 where: short stacking energy: -116.204 Base-Backbone interact. energy: -0.955 local terms energy: -115.976733 where: bonds (distance) C4'-P energy: -21.764 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -26.004 flat angles P-C4'-P energy: -15.381 tors. eta vs tors. theta energy: -36.404 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: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -352.962000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.962000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.962000 (E_RNA) where: Base-Base interactions energy: -235.770 where: short stacking energy: -104.217 Base-Backbone interact. energy: -1.611 local terms energy: -115.581328 where: bonds (distance) C4'-P energy: -14.048 bonds (distance) P-C4' energy: -23.959 flat angles C4'-P-C4' energy: -21.827 flat angles P-C4'-P energy: -21.650 tors. eta vs tors. theta energy: -34.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -238.086463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.086463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.086463 (E_RNA) where: Base-Base interactions energy: -148.091 where: short stacking energy: -64.753 Base-Backbone interact. energy: 0.190 local terms energy: -90.185537 where: bonds (distance) C4'-P energy: -23.558 bonds (distance) P-C4' energy: -20.414 flat angles C4'-P-C4' energy: -27.140 flat angles P-C4'-P energy: -11.902 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: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -244.632651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.632651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.632651 (E_RNA) where: Base-Base interactions energy: -150.798 where: short stacking energy: -72.653 Base-Backbone interact. energy: -1.928 local terms energy: -91.906613 where: bonds (distance) C4'-P energy: -17.652 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -26.198 flat angles P-C4'-P energy: -16.615 tors. eta vs tors. theta energy: -16.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -224.558544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.558544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.558544 (E_RNA) where: Base-Base interactions energy: -130.961 where: short stacking energy: -73.930 Base-Backbone interact. energy: -2.498 local terms energy: -91.099640 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -22.946 flat angles C4'-P-C4' energy: -25.844 flat angles P-C4'-P energy: -15.640 tors. eta vs tors. theta energy: -13.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -259.123799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.123799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.123799 (E_RNA) where: Base-Base interactions energy: -174.578 where: short stacking energy: -77.243 Base-Backbone interact. energy: -1.214 local terms energy: -83.332072 where: bonds (distance) C4'-P energy: -17.454 bonds (distance) P-C4' energy: -21.386 flat angles C4'-P-C4' energy: -22.318 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -13.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -154.137192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.137192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.137192 (E_RNA) where: Base-Base interactions energy: -80.835 where: short stacking energy: -33.193 Base-Backbone interact. energy: -2.231 local terms energy: -71.071171 where: bonds (distance) C4'-P energy: -21.227 bonds (distance) P-C4' energy: -21.064 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -10.728 tors. eta vs tors. theta energy: -4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -386.452552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.452552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.452552 (E_RNA) where: Base-Base interactions energy: -253.064 where: short stacking energy: -122.157 Base-Backbone interact. energy: -0.393 local terms energy: -132.995256 where: bonds (distance) C4'-P energy: -23.647 bonds (distance) P-C4' energy: -27.006 flat angles C4'-P-C4' energy: -28.825 flat angles P-C4'-P energy: -15.942 tors. eta vs tors. theta energy: -37.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -415.646889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.646889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.646889 (E_RNA) where: Base-Base interactions energy: -281.384 where: short stacking energy: -119.807 Base-Backbone interact. energy: -0.185 local terms energy: -134.077699 where: bonds (distance) C4'-P energy: -25.888 bonds (distance) P-C4' energy: -29.053 flat angles C4'-P-C4' energy: -24.779 flat angles P-C4'-P energy: -17.123 tors. eta vs tors. theta energy: -37.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -388.997163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.997163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.997163 (E_RNA) where: Base-Base interactions energy: -258.891 where: short stacking energy: -122.386 Base-Backbone interact. energy: -0.834 local terms energy: -129.271580 where: bonds (distance) C4'-P energy: -24.831 bonds (distance) P-C4' energy: -26.001 flat angles C4'-P-C4' energy: -23.288 flat angles P-C4'-P energy: -17.582 tors. eta vs tors. theta energy: -37.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -357.358422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.358422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.358422 (E_RNA) where: Base-Base interactions energy: -243.593 where: short stacking energy: -108.689 Base-Backbone interact. energy: 0.385 local terms energy: -114.150301 where: bonds (distance) C4'-P energy: -23.474 bonds (distance) P-C4' energy: -22.233 flat angles C4'-P-C4' energy: -27.150 flat angles P-C4'-P energy: -15.587 tors. eta vs tors. theta energy: -25.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -338.437354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.437354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.437354 (E_RNA) where: Base-Base interactions energy: -219.181 where: short stacking energy: -97.535 Base-Backbone interact. energy: -0.102 local terms energy: -119.153875 where: bonds (distance) C4'-P energy: -25.325 bonds (distance) P-C4' energy: -25.635 flat angles C4'-P-C4' energy: -24.290 flat angles P-C4'-P energy: -16.462 tors. eta vs tors. theta energy: -27.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -253.547722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.547722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.547722 (E_RNA) where: Base-Base interactions energy: -153.611 where: short stacking energy: -80.446 Base-Backbone interact. energy: -1.006 local terms energy: -98.930985 where: bonds (distance) C4'-P energy: -21.167 bonds (distance) P-C4' energy: -18.859 flat angles C4'-P-C4' energy: -23.873 flat angles P-C4'-P energy: -17.564 tors. eta vs tors. theta energy: -17.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -230.810246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.810246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.810246 (E_RNA) where: Base-Base interactions energy: -146.631 where: short stacking energy: -79.337 Base-Backbone interact. energy: -0.255 local terms energy: -83.924257 where: bonds (distance) C4'-P energy: -17.085 bonds (distance) P-C4' energy: -17.172 flat angles C4'-P-C4' energy: -22.394 flat angles P-C4'-P energy: -14.200 tors. eta vs tors. theta energy: -13.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -243.301700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.301700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.301700 (E_RNA) where: Base-Base interactions energy: -146.396 where: short stacking energy: -65.461 Base-Backbone interact. energy: -0.238 local terms energy: -96.667733 where: bonds (distance) C4'-P energy: -21.846 bonds (distance) P-C4' energy: -26.826 flat angles C4'-P-C4' energy: -24.777 flat angles P-C4'-P energy: -12.765 tors. eta vs tors. theta energy: -10.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -264.175633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.175633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.175633 (E_RNA) where: Base-Base interactions energy: -182.348 where: short stacking energy: -68.360 Base-Backbone interact. energy: -0.747 local terms energy: -81.079901 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -18.115 flat angles C4'-P-C4' energy: -23.078 flat angles P-C4'-P energy: -15.063 tors. eta vs tors. theta energy: -10.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -177.964047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.964047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.964047 (E_RNA) where: Base-Base interactions energy: -98.511 where: short stacking energy: -61.317 Base-Backbone interact. energy: 0.213 local terms energy: -79.665898 where: bonds (distance) C4'-P energy: -17.843 bonds (distance) P-C4' energy: -21.945 flat angles C4'-P-C4' energy: -23.595 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -378.548458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.548458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.548458 (E_RNA) where: Base-Base interactions energy: -250.563 where: short stacking energy: -124.759 Base-Backbone interact. energy: -0.248 local terms energy: -127.737963 where: bonds (distance) C4'-P energy: -19.997 bonds (distance) P-C4' energy: -23.934 flat angles C4'-P-C4' energy: -30.287 flat angles P-C4'-P energy: -18.375 tors. eta vs tors. theta energy: -35.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -401.867286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.867286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.867286 (E_RNA) where: Base-Base interactions energy: -284.390 where: short stacking energy: -117.550 Base-Backbone interact. energy: 0.304 local terms energy: -117.781582 where: bonds (distance) C4'-P energy: -22.033 bonds (distance) P-C4' energy: -15.866 flat angles C4'-P-C4' energy: -25.998 flat angles P-C4'-P energy: -17.390 tors. eta vs tors. theta energy: -36.495 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: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -393.457109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.457109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.457109 (E_RNA) where: Base-Base interactions energy: -272.159 where: short stacking energy: -116.870 Base-Backbone interact. energy: -1.198 local terms energy: -120.100407 where: bonds (distance) C4'-P energy: -20.854 bonds (distance) P-C4' energy: -25.229 flat angles C4'-P-C4' energy: -20.106 flat angles P-C4'-P energy: -15.969 tors. eta vs tors. theta energy: -37.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -356.827602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.827602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.827602 (E_RNA) where: Base-Base interactions energy: -242.009 where: short stacking energy: -110.128 Base-Backbone interact. energy: -0.419 local terms energy: -114.399991 where: bonds (distance) C4'-P energy: -20.310 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -28.230 flat angles P-C4'-P energy: -18.561 tors. eta vs tors. theta energy: -29.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -343.319949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.319949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.319949 (E_RNA) where: Base-Base interactions energy: -235.524 where: short stacking energy: -93.297 Base-Backbone interact. energy: 0.901 local terms energy: -108.697563 where: bonds (distance) C4'-P energy: -21.681 bonds (distance) P-C4' energy: -18.835 flat angles C4'-P-C4' energy: -23.220 flat angles P-C4'-P energy: -16.642 tors. eta vs tors. theta energy: -28.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -250.847988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.847988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.847988 (E_RNA) where: Base-Base interactions energy: -158.345 where: short stacking energy: -64.192 Base-Backbone interact. energy: 0.724 local terms energy: -93.227624 where: bonds (distance) C4'-P energy: -20.788 bonds (distance) P-C4' energy: -22.208 flat angles C4'-P-C4' energy: -20.462 flat angles P-C4'-P energy: -16.511 tors. eta vs tors. theta energy: -13.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -252.099511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.099511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.099511 (E_RNA) where: Base-Base interactions energy: -147.369 where: short stacking energy: -71.358 Base-Backbone interact. energy: 0.039 local terms energy: -104.769949 where: bonds (distance) C4'-P energy: -25.797 bonds (distance) P-C4' energy: -26.484 flat angles C4'-P-C4' energy: -22.598 flat angles P-C4'-P energy: -16.613 tors. eta vs tors. theta energy: -13.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -243.648974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.648974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.648974 (E_RNA) where: Base-Base interactions energy: -148.246 where: short stacking energy: -70.068 Base-Backbone interact. energy: -0.214 local terms energy: -95.188819 where: bonds (distance) C4'-P energy: -24.936 bonds (distance) P-C4' energy: -17.344 flat angles C4'-P-C4' energy: -24.468 flat angles P-C4'-P energy: -11.095 tors. eta vs tors. theta energy: -17.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -246.889161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.889161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.889161 (E_RNA) where: Base-Base interactions energy: -159.736 where: short stacking energy: -79.429 Base-Backbone interact. energy: -1.420 local terms energy: -85.733073 where: bonds (distance) C4'-P energy: -23.789 bonds (distance) P-C4' energy: -14.981 flat angles C4'-P-C4' energy: -16.805 flat angles P-C4'-P energy: -11.940 tors. eta vs tors. theta energy: -18.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -138.104934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.104934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.104934 (E_RNA) where: Base-Base interactions energy: -67.371 where: short stacking energy: -34.955 Base-Backbone interact. energy: -0.876 local terms energy: -69.857631 where: bonds (distance) C4'-P energy: -21.264 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -22.017 flat angles P-C4'-P energy: -13.137 tors. eta vs tors. theta energy: 2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -406.216002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.216002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.216002 (E_RNA) where: Base-Base interactions energy: -269.908 where: short stacking energy: -125.263 Base-Backbone interact. energy: -0.367 local terms energy: -135.940980 where: bonds (distance) C4'-P energy: -25.135 bonds (distance) P-C4' energy: -24.889 flat angles C4'-P-C4' energy: -28.775 flat angles P-C4'-P energy: -20.222 tors. eta vs tors. theta energy: -36.920 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: 2, replica: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -380.125613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.125613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.125613 (E_RNA) where: Base-Base interactions energy: -251.392 where: short stacking energy: -127.465 Base-Backbone interact. energy: -0.002 local terms energy: -128.731765 where: bonds (distance) C4'-P energy: -22.989 bonds (distance) P-C4' energy: -26.744 flat angles C4'-P-C4' energy: -25.964 flat angles P-C4'-P energy: -14.834 tors. eta vs tors. theta energy: -38.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -395.057649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.057649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.057649 (E_RNA) where: Base-Base interactions energy: -280.427 where: short stacking energy: -120.326 Base-Backbone interact. energy: -1.906 local terms energy: -112.725040 where: bonds (distance) C4'-P energy: -17.718 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -22.821 flat angles P-C4'-P energy: -20.495 tors. eta vs tors. theta energy: -36.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -364.938451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.938451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.938451 (E_RNA) where: Base-Base interactions energy: -248.257 where: short stacking energy: -113.484 Base-Backbone interact. energy: 0.019 local terms energy: -116.700605 where: bonds (distance) C4'-P energy: -21.363 bonds (distance) P-C4' energy: -24.533 flat angles C4'-P-C4' energy: -25.628 flat angles P-C4'-P energy: -16.566 tors. eta vs tors. theta energy: -28.610 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: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -349.748104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.748104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.748104 (E_RNA) where: Base-Base interactions energy: -250.083 where: short stacking energy: -98.726 Base-Backbone interact. energy: 0.067 local terms energy: -99.732714 where: bonds (distance) C4'-P energy: -14.031 bonds (distance) P-C4' energy: -23.828 flat angles C4'-P-C4' energy: -21.284 flat angles P-C4'-P energy: -14.513 tors. eta vs tors. theta energy: -26.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -259.945867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.945867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.945867 (E_RNA) where: Base-Base interactions energy: -162.049 where: short stacking energy: -80.739 Base-Backbone interact. energy: -0.636 local terms energy: -97.260577 where: bonds (distance) C4'-P energy: -19.014 bonds (distance) P-C4' energy: -25.856 flat angles C4'-P-C4' energy: -17.036 flat angles P-C4'-P energy: -12.031 tors. eta vs tors. theta energy: -23.324 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: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -237.320652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.320652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.320652 (E_RNA) where: Base-Base interactions energy: -151.940 where: short stacking energy: -69.234 Base-Backbone interact. energy: -0.528 local terms energy: -84.853224 where: bonds (distance) C4'-P energy: -16.243 bonds (distance) P-C4' energy: -25.948 flat angles C4'-P-C4' energy: -19.573 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -12.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -213.808772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.808772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.808772 (E_RNA) where: Base-Base interactions energy: -130.732 where: short stacking energy: -70.307 Base-Backbone interact. energy: -0.695 local terms energy: -82.382021 where: bonds (distance) C4'-P energy: -22.078 bonds (distance) P-C4' energy: -13.388 flat angles C4'-P-C4' energy: -21.458 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -241.282559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.282559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.282559 (E_RNA) where: Base-Base interactions energy: -149.321 where: short stacking energy: -59.997 Base-Backbone interact. energy: -0.542 local terms energy: -91.419595 where: bonds (distance) C4'-P energy: -20.830 bonds (distance) P-C4' energy: -26.275 flat angles C4'-P-C4' energy: -20.718 flat angles P-C4'-P energy: -13.427 tors. eta vs tors. theta energy: -10.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -120.167365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.167365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.167365 (E_RNA) where: Base-Base interactions energy: -55.901 where: short stacking energy: -39.687 Base-Backbone interact. energy: -1.131 local terms energy: -63.135578 where: bonds (distance) C4'-P energy: -21.872 bonds (distance) P-C4' energy: -21.892 flat angles C4'-P-C4' energy: -9.785 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -404.665429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.665429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.665429 (E_RNA) where: Base-Base interactions energy: -273.240 where: short stacking energy: -120.347 Base-Backbone interact. energy: -0.945 local terms energy: -130.480025 where: bonds (distance) C4'-P energy: -25.307 bonds (distance) P-C4' energy: -24.513 flat angles C4'-P-C4' energy: -26.770 flat angles P-C4'-P energy: -17.595 tors. eta vs tors. theta energy: -36.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -400.342520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.342520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.342520 (E_RNA) where: Base-Base interactions energy: -279.728 where: short stacking energy: -120.321 Base-Backbone interact. energy: -0.012 local terms energy: -120.603077 where: bonds (distance) C4'-P energy: -21.152 bonds (distance) P-C4' energy: -22.467 flat angles C4'-P-C4' energy: -26.479 flat angles P-C4'-P energy: -12.926 tors. eta vs tors. theta energy: -37.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -366.084325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.084325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.084325 (E_RNA) where: Base-Base interactions energy: -249.288 where: short stacking energy: -119.942 Base-Backbone interact. energy: -0.063 local terms energy: -116.733900 where: bonds (distance) C4'-P energy: -19.980 bonds (distance) P-C4' energy: -24.739 flat angles C4'-P-C4' energy: -26.523 flat angles P-C4'-P energy: -15.874 tors. eta vs tors. theta energy: -29.617 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: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -385.992844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.992844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.992844 (E_RNA) where: Base-Base interactions energy: -275.363 where: short stacking energy: -114.535 Base-Backbone interact. energy: -0.817 local terms energy: -109.812834 where: bonds (distance) C4'-P energy: -20.030 bonds (distance) P-C4' energy: -24.462 flat angles C4'-P-C4' energy: -23.803 flat angles P-C4'-P energy: -15.683 tors. eta vs tors. theta energy: -25.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -359.932450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.932450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.932450 (E_RNA) where: Base-Base interactions energy: -248.102 where: short stacking energy: -107.171 Base-Backbone interact. energy: -0.014 local terms energy: -111.817209 where: bonds (distance) C4'-P energy: -16.722 bonds (distance) P-C4' energy: -24.356 flat angles C4'-P-C4' energy: -26.732 flat angles P-C4'-P energy: -10.261 tors. eta vs tors. theta energy: -33.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -294.706288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.706288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.706288 (E_RNA) where: Base-Base interactions energy: -200.131 where: short stacking energy: -88.488 Base-Backbone interact. energy: -0.198 local terms energy: -94.376628 where: bonds (distance) C4'-P energy: -19.782 bonds (distance) P-C4' energy: -19.689 flat angles C4'-P-C4' energy: -18.528 flat angles P-C4'-P energy: -16.522 tors. eta vs tors. theta energy: -19.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -239.230386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.230386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.230386 (E_RNA) where: Base-Base interactions energy: -143.399 where: short stacking energy: -62.010 Base-Backbone interact. energy: 0.101 local terms energy: -95.933303 where: bonds (distance) C4'-P energy: -22.365 bonds (distance) P-C4' energy: -19.227 flat angles C4'-P-C4' energy: -20.387 flat angles P-C4'-P energy: -16.347 tors. eta vs tors. theta energy: -17.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -266.063407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.063407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.063407 (E_RNA) where: Base-Base interactions energy: -178.077 where: short stacking energy: -80.186 Base-Backbone interact. energy: 0.294 local terms energy: -88.280686 where: bonds (distance) C4'-P energy: -18.381 bonds (distance) P-C4' energy: -22.159 flat angles C4'-P-C4' energy: -20.956 flat angles P-C4'-P energy: -11.854 tors. eta vs tors. theta energy: -14.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -190.874273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.874273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.874273 (E_RNA) where: Base-Base interactions energy: -111.263 where: short stacking energy: -54.796 Base-Backbone interact. energy: -0.187 local terms energy: -79.425134 where: bonds (distance) C4'-P energy: -22.474 bonds (distance) P-C4' energy: -19.504 flat angles C4'-P-C4' energy: -17.690 flat angles P-C4'-P energy: -10.193 tors. eta vs tors. theta energy: -9.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -115.929111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.929111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.929111 (E_RNA) where: Base-Base interactions energy: -41.436 where: short stacking energy: -38.335 Base-Backbone interact. energy: -0.426 local terms energy: -74.066957 where: bonds (distance) C4'-P energy: -24.875 bonds (distance) P-C4' energy: -18.757 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -17.428 tors. eta vs tors. theta energy: 0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -414.393483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.393483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.393483 (E_RNA) where: Base-Base interactions energy: -279.446 where: short stacking energy: -122.039 Base-Backbone interact. energy: -1.763 local terms energy: -133.184939 where: bonds (distance) C4'-P energy: -28.264 bonds (distance) P-C4' energy: -23.605 flat angles C4'-P-C4' energy: -26.289 flat angles P-C4'-P energy: -16.148 tors. eta vs tors. theta energy: -38.879 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: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -370.544003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.544003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.544003 (E_RNA) where: Base-Base interactions energy: -249.191 where: short stacking energy: -115.325 Base-Backbone interact. energy: -0.047 local terms energy: -121.305630 where: bonds (distance) C4'-P energy: -26.620 bonds (distance) P-C4' energy: -23.527 flat angles C4'-P-C4' energy: -24.973 flat angles P-C4'-P energy: -17.254 tors. eta vs tors. theta energy: -28.931 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: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -396.776353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.776353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.776353 (E_RNA) where: Base-Base interactions energy: -278.821 where: short stacking energy: -116.925 Base-Backbone interact. energy: -1.017 local terms energy: -116.938230 where: bonds (distance) C4'-P energy: -21.400 bonds (distance) P-C4' energy: -20.497 flat angles C4'-P-C4' energy: -23.656 flat angles P-C4'-P energy: -16.396 tors. eta vs tors. theta energy: -34.989 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: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -359.471017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.471017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.471017 (E_RNA) where: Base-Base interactions energy: -238.261 where: short stacking energy: -118.624 Base-Backbone interact. energy: 1.486 local terms energy: -122.696165 where: bonds (distance) C4'-P energy: -21.425 bonds (distance) P-C4' energy: -23.115 flat angles C4'-P-C4' energy: -25.019 flat angles P-C4'-P energy: -20.236 tors. eta vs tors. theta energy: -32.902 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: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -366.257167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.257167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.257167 (E_RNA) where: Base-Base interactions energy: -251.313 where: short stacking energy: -108.729 Base-Backbone interact. energy: -2.022 local terms energy: -112.922901 where: bonds (distance) C4'-P energy: -18.028 bonds (distance) P-C4' energy: -22.696 flat angles C4'-P-C4' energy: -24.911 flat angles P-C4'-P energy: -18.290 tors. eta vs tors. theta energy: -28.998 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: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -282.611038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.611038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.611038 (E_RNA) where: Base-Base interactions energy: -195.337 where: short stacking energy: -101.326 Base-Backbone interact. energy: -0.185 local terms energy: -87.088980 where: bonds (distance) C4'-P energy: -18.764 bonds (distance) P-C4' energy: -22.894 flat angles C4'-P-C4' energy: -17.177 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -17.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -296.696793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.696793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.696793 (E_RNA) where: Base-Base interactions energy: -197.358 where: short stacking energy: -86.936 Base-Backbone interact. energy: -0.621 local terms energy: -98.718544 where: bonds (distance) C4'-P energy: -16.867 bonds (distance) P-C4' energy: -18.005 flat angles C4'-P-C4' energy: -24.314 flat angles P-C4'-P energy: -13.915 tors. eta vs tors. theta energy: -25.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -245.933955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.933955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.933955 (E_RNA) where: Base-Base interactions energy: -145.350 where: short stacking energy: -70.839 Base-Backbone interact. energy: -0.067 local terms energy: -100.517050 where: bonds (distance) C4'-P energy: -21.921 bonds (distance) P-C4' energy: -23.360 flat angles C4'-P-C4' energy: -26.216 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -17.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -201.876031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.876031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.876031 (E_RNA) where: Base-Base interactions energy: -110.426 where: short stacking energy: -53.044 Base-Backbone interact. energy: -0.786 local terms energy: -90.664110 where: bonds (distance) C4'-P energy: -24.587 bonds (distance) P-C4' energy: -17.239 flat angles C4'-P-C4' energy: -22.271 flat angles P-C4'-P energy: -18.114 tors. eta vs tors. theta energy: -8.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -131.117205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.117205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.117205 (E_RNA) where: Base-Base interactions energy: -61.894 where: short stacking energy: -50.814 Base-Backbone interact. energy: -0.743 local terms energy: -68.480590 where: bonds (distance) C4'-P energy: -23.806 bonds (distance) P-C4' energy: -22.012 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -405.668211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.668211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.668211 (E_RNA) where: Base-Base interactions energy: -277.692 where: short stacking energy: -114.848 Base-Backbone interact. energy: -1.369 local terms energy: -126.607877 where: bonds (distance) C4'-P energy: -25.624 bonds (distance) P-C4' energy: -23.088 flat angles C4'-P-C4' energy: -27.778 flat angles P-C4'-P energy: -14.201 tors. eta vs tors. theta energy: -35.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -387.383690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.383690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.383690 (E_RNA) where: Base-Base interactions energy: -275.302 where: short stacking energy: -126.465 Base-Backbone interact. energy: -0.460 local terms energy: -111.621606 where: bonds (distance) C4'-P energy: -18.838 bonds (distance) P-C4' energy: -19.010 flat angles C4'-P-C4' energy: -26.330 flat angles P-C4'-P energy: -13.583 tors. eta vs tors. theta energy: -33.860 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: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -360.275718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.275718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.275718 (E_RNA) where: Base-Base interactions energy: -244.602 where: short stacking energy: -118.930 Base-Backbone interact. energy: -0.102 local terms energy: -115.571707 where: bonds (distance) C4'-P energy: -20.091 bonds (distance) P-C4' energy: -23.886 flat angles C4'-P-C4' energy: -23.728 flat angles P-C4'-P energy: -13.059 tors. eta vs tors. theta energy: -34.808 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: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -354.556122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.556122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.556122 (E_RNA) where: Base-Base interactions energy: -246.702 where: short stacking energy: -116.663 Base-Backbone interact. energy: -1.270 local terms energy: -106.584483 where: bonds (distance) C4'-P energy: -21.120 bonds (distance) P-C4' energy: -21.710 flat angles C4'-P-C4' energy: -22.176 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -31.302 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: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -343.977949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.977949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.977949 (E_RNA) where: Base-Base interactions energy: -225.101 where: short stacking energy: -105.076 Base-Backbone interact. energy: -0.885 local terms energy: -117.991164 where: bonds (distance) C4'-P energy: -17.662 bonds (distance) P-C4' energy: -25.378 flat angles C4'-P-C4' energy: -26.722 flat angles P-C4'-P energy: -17.717 tors. eta vs tors. theta energy: -30.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -348.199352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.199352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.199352 (E_RNA) where: Base-Base interactions energy: -233.656 where: short stacking energy: -97.630 Base-Backbone interact. energy: -0.310 local terms energy: -114.233908 where: bonds (distance) C4'-P energy: -15.496 bonds (distance) P-C4' energy: -26.911 flat angles C4'-P-C4' energy: -24.193 flat angles P-C4'-P energy: -14.976 tors. eta vs tors. theta energy: -32.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -274.444967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.444967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.444967 (E_RNA) where: Base-Base interactions energy: -172.820 where: short stacking energy: -79.584 Base-Backbone interact. energy: -0.325 local terms energy: -101.300712 where: bonds (distance) C4'-P energy: -20.328 bonds (distance) P-C4' energy: -26.183 flat angles C4'-P-C4' energy: -20.907 flat angles P-C4'-P energy: -13.835 tors. eta vs tors. theta energy: -20.049 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: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -237.274999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.274999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.274999 (E_RNA) where: Base-Base interactions energy: -142.239 where: short stacking energy: -64.828 Base-Backbone interact. energy: -1.661 local terms energy: -93.374996 where: bonds (distance) C4'-P energy: -20.269 bonds (distance) P-C4' energy: -23.959 flat angles C4'-P-C4' energy: -25.658 flat angles P-C4'-P energy: -15.016 tors. eta vs tors. theta energy: -8.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -206.284769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.284769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.284769 (E_RNA) where: Base-Base interactions energy: -107.096 where: short stacking energy: -50.470 Base-Backbone interact. energy: -0.410 local terms energy: -98.778332 where: bonds (distance) C4'-P energy: -23.159 bonds (distance) P-C4' energy: -22.473 flat angles C4'-P-C4' energy: -28.757 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -14.113 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: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -148.317948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.317948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.317948 (E_RNA) where: Base-Base interactions energy: -76.306 where: short stacking energy: -41.856 Base-Backbone interact. energy: 0.636 local terms energy: -72.647641 where: bonds (distance) C4'-P energy: -21.132 bonds (distance) P-C4' energy: -16.446 flat angles C4'-P-C4' energy: -18.971 flat angles P-C4'-P energy: -15.135 tors. eta vs tors. theta energy: -0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -417.398382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.398382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.398382 (E_RNA) where: Base-Base interactions energy: -288.525 where: short stacking energy: -121.695 Base-Backbone interact. energy: -1.683 local terms energy: -127.190992 where: bonds (distance) C4'-P energy: -23.255 bonds (distance) P-C4' energy: -26.075 flat angles C4'-P-C4' energy: -23.545 flat angles P-C4'-P energy: -20.566 tors. eta vs tors. theta energy: -33.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -397.086737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.086737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.086737 (E_RNA) where: Base-Base interactions energy: -275.329 where: short stacking energy: -102.738 Base-Backbone interact. energy: -0.584 local terms energy: -121.174534 where: bonds (distance) C4'-P energy: -24.741 bonds (distance) P-C4' energy: -22.636 flat angles C4'-P-C4' energy: -24.020 flat angles P-C4'-P energy: -19.272 tors. eta vs tors. theta energy: -30.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -380.939184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.939184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.939184 (E_RNA) where: Base-Base interactions energy: -267.042 where: short stacking energy: -102.319 Base-Backbone interact. energy: -1.598 local terms energy: -112.299699 where: bonds (distance) C4'-P energy: -22.249 bonds (distance) P-C4' energy: -25.517 flat angles C4'-P-C4' energy: -24.113 flat angles P-C4'-P energy: -14.832 tors. eta vs tors. theta energy: -25.589 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: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -356.710226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.710226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.710226 (E_RNA) where: Base-Base interactions energy: -247.484 where: short stacking energy: -110.844 Base-Backbone interact. energy: -0.134 local terms energy: -109.092249 where: bonds (distance) C4'-P energy: -24.521 bonds (distance) P-C4' energy: -25.681 flat angles C4'-P-C4' energy: -22.737 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -24.822 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: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -341.342729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.342729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.342729 (E_RNA) where: Base-Base interactions energy: -233.025 where: short stacking energy: -99.650 Base-Backbone interact. energy: -0.362 local terms energy: -107.955774 where: bonds (distance) C4'-P energy: -21.935 bonds (distance) P-C4' energy: -20.174 flat angles C4'-P-C4' energy: -24.829 flat angles P-C4'-P energy: -14.163 tors. eta vs tors. theta energy: -26.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -351.986108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.986108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.986108 (E_RNA) where: Base-Base interactions energy: -240.748 where: short stacking energy: -113.629 Base-Backbone interact. energy: -0.063 local terms energy: -111.175333 where: bonds (distance) C4'-P energy: -23.462 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -27.746 flat angles P-C4'-P energy: -11.650 tors. eta vs tors. theta energy: -33.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -255.331920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.331920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.331920 (E_RNA) where: Base-Base interactions energy: -168.064 where: short stacking energy: -78.444 Base-Backbone interact. energy: -0.460 local terms energy: -86.808431 where: bonds (distance) C4'-P energy: -17.085 bonds (distance) P-C4' energy: -21.471 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -14.160 tors. eta vs tors. theta energy: -17.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -242.922628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.922628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.922628 (E_RNA) where: Base-Base interactions energy: -158.979 where: short stacking energy: -73.729 Base-Backbone interact. energy: -0.015 local terms energy: -83.928850 where: bonds (distance) C4'-P energy: -19.302 bonds (distance) P-C4' energy: -18.015 flat angles C4'-P-C4' energy: -20.480 flat angles P-C4'-P energy: -14.005 tors. eta vs tors. theta energy: -12.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -198.354557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.354557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.354557 (E_RNA) where: Base-Base interactions energy: -109.197 where: short stacking energy: -64.256 Base-Backbone interact. energy: -0.243 local terms energy: -88.914504 where: bonds (distance) C4'-P energy: -16.603 bonds (distance) P-C4' energy: -22.436 flat angles C4'-P-C4' energy: -24.326 flat angles P-C4'-P energy: -13.624 tors. eta vs tors. theta energy: -11.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -137.189640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.189640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.189640 (E_RNA) where: Base-Base interactions energy: -71.524 where: short stacking energy: -46.058 Base-Backbone interact. energy: -1.339 local terms energy: -64.326864 where: bonds (distance) C4'-P energy: -18.008 bonds (distance) P-C4' energy: -21.123 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -12.686 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -416.108125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.108125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.108125 (E_RNA) where: Base-Base interactions energy: -286.648 where: short stacking energy: -125.928 Base-Backbone interact. energy: -1.435 local terms energy: -128.025501 where: bonds (distance) C4'-P energy: -24.616 bonds (distance) P-C4' energy: -20.671 flat angles C4'-P-C4' energy: -25.874 flat angles P-C4'-P energy: -21.819 tors. eta vs tors. theta energy: -35.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -370.987808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.987808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.987808 (E_RNA) where: Base-Base interactions energy: -248.677 where: short stacking energy: -105.638 Base-Backbone interact. energy: -1.623 local terms energy: -120.687751 where: bonds (distance) C4'-P energy: -21.271 bonds (distance) P-C4' energy: -21.645 flat angles C4'-P-C4' energy: -30.124 flat angles P-C4'-P energy: -21.459 tors. eta vs tors. theta energy: -26.189 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: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -401.202044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.202044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.202044 (E_RNA) where: Base-Base interactions energy: -274.622 where: short stacking energy: -115.905 Base-Backbone interact. energy: -2.200 local terms energy: -124.380295 where: bonds (distance) C4'-P energy: -23.474 bonds (distance) P-C4' energy: -21.862 flat angles C4'-P-C4' energy: -25.044 flat angles P-C4'-P energy: -20.432 tors. eta vs tors. theta energy: -33.568 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: 4, replica: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -351.412722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.412722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.412722 (E_RNA) where: Base-Base interactions energy: -235.751 where: short stacking energy: -92.441 Base-Backbone interact. energy: -0.110 local terms energy: -115.552491 where: bonds (distance) C4'-P energy: -20.616 bonds (distance) P-C4' energy: -25.347 flat angles C4'-P-C4' energy: -24.741 flat angles P-C4'-P energy: -23.342 tors. eta vs tors. theta energy: -21.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -348.903597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.903597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.903597 (E_RNA) where: Base-Base interactions energy: -238.376 where: short stacking energy: -89.603 Base-Backbone interact. energy: -0.388 local terms energy: -110.139770 where: bonds (distance) C4'-P energy: -22.609 bonds (distance) P-C4' energy: -20.001 flat angles C4'-P-C4' energy: -25.665 flat angles P-C4'-P energy: -20.604 tors. eta vs tors. theta energy: -21.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -351.134698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.134698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.134698 (E_RNA) where: Base-Base interactions energy: -237.737 where: short stacking energy: -116.802 Base-Backbone interact. energy: -0.240 local terms energy: -113.157203 where: bonds (distance) C4'-P energy: -17.940 bonds (distance) P-C4' energy: -18.694 flat angles C4'-P-C4' energy: -25.144 flat angles P-C4'-P energy: -13.983 tors. eta vs tors. theta energy: -37.396 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: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -251.532685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.532685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.532685 (E_RNA) where: Base-Base interactions energy: -156.157 where: short stacking energy: -79.751 Base-Backbone interact. energy: -0.170 local terms energy: -95.206024 where: bonds (distance) C4'-P energy: -21.126 bonds (distance) P-C4' energy: -23.306 flat angles C4'-P-C4' energy: -25.993 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -13.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -232.252082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.252082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.252082 (E_RNA) where: Base-Base interactions energy: -145.294 where: short stacking energy: -77.633 Base-Backbone interact. energy: -0.149 local terms energy: -86.808877 where: bonds (distance) C4'-P energy: -18.481 bonds (distance) P-C4' energy: -18.987 flat angles C4'-P-C4' energy: -18.428 flat angles P-C4'-P energy: -15.621 tors. eta vs tors. theta energy: -15.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -243.473671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.473671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.473671 (E_RNA) where: Base-Base interactions energy: -155.966 where: short stacking energy: -72.727 Base-Backbone interact. energy: -0.303 local terms energy: -87.204891 where: bonds (distance) C4'-P energy: -23.924 bonds (distance) P-C4' energy: -16.928 flat angles C4'-P-C4' energy: -19.826 flat angles P-C4'-P energy: -14.889 tors. eta vs tors. theta energy: -11.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -118.662216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.662216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.662216 (E_RNA) where: Base-Base interactions energy: -43.127 where: short stacking energy: -37.648 Base-Backbone interact. energy: -0.220 local terms energy: -75.315601 where: bonds (distance) C4'-P energy: -20.098 bonds (distance) P-C4' energy: -22.383 flat angles C4'-P-C4' energy: -16.806 flat angles P-C4'-P energy: -17.305 tors. eta vs tors. theta energy: 1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -412.711576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.711576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.711576 (E_RNA) where: Base-Base interactions energy: -288.213 where: short stacking energy: -132.413 Base-Backbone interact. energy: 0.731 local terms energy: -125.229473 where: bonds (distance) C4'-P energy: -18.167 bonds (distance) P-C4' energy: -23.546 flat angles C4'-P-C4' energy: -29.329 flat angles P-C4'-P energy: -20.406 tors. eta vs tors. theta energy: -33.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -389.838166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.838166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.838166 (E_RNA) where: Base-Base interactions energy: -267.820 where: short stacking energy: -116.481 Base-Backbone interact. energy: -1.256 local terms energy: -120.763116 where: bonds (distance) C4'-P energy: -24.328 bonds (distance) P-C4' energy: -23.097 flat angles C4'-P-C4' energy: -26.893 flat angles P-C4'-P energy: -14.449 tors. eta vs tors. theta energy: -31.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -401.761426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.761426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.761426 (E_RNA) where: Base-Base interactions energy: -280.530 where: short stacking energy: -103.891 Base-Backbone interact. energy: -0.601 local terms energy: -120.630323 where: bonds (distance) C4'-P energy: -20.394 bonds (distance) P-C4' energy: -27.407 flat angles C4'-P-C4' energy: -28.156 flat angles P-C4'-P energy: -13.005 tors. eta vs tors. theta energy: -31.668 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: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -349.022331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.022331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.022331 (E_RNA) where: Base-Base interactions energy: -246.838 where: short stacking energy: -112.265 Base-Backbone interact. energy: -2.249 local terms energy: -99.935016 where: bonds (distance) C4'-P energy: -17.182 bonds (distance) P-C4' energy: -19.828 flat angles C4'-P-C4' energy: -23.795 flat angles P-C4'-P energy: -14.010 tors. eta vs tors. theta energy: -25.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -335.866062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.866062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.866062 (E_RNA) where: Base-Base interactions energy: -228.732 where: short stacking energy: -110.170 Base-Backbone interact. energy: 1.079 local terms energy: -108.212833 where: bonds (distance) C4'-P energy: -16.180 bonds (distance) P-C4' energy: -21.833 flat angles C4'-P-C4' energy: -25.025 flat angles P-C4'-P energy: -13.706 tors. eta vs tors. theta energy: -31.469 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: 402 Temperature: 1.150000 Total energy: -345.131672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.131672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.131672 (E_RNA) where: Base-Base interactions energy: -228.763 where: short stacking energy: -99.725 Base-Backbone interact. energy: 0.683 local terms energy: -117.052453 where: bonds (distance) C4'-P energy: -21.157 bonds (distance) P-C4' energy: -24.959 flat angles C4'-P-C4' energy: -23.968 flat angles P-C4'-P energy: -17.110 tors. eta vs tors. theta energy: -29.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -258.319547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.319547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.319547 (E_RNA) where: Base-Base interactions energy: -163.213 where: short stacking energy: -77.813 Base-Backbone interact. energy: -0.341 local terms energy: -94.765621 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -24.584 flat angles C4'-P-C4' energy: -25.637 flat angles P-C4'-P energy: -13.945 tors. eta vs tors. theta energy: -16.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -248.348593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.348593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.348593 (E_RNA) where: Base-Base interactions energy: -149.994 where: short stacking energy: -83.792 Base-Backbone interact. energy: 0.002 local terms energy: -98.357057 where: bonds (distance) C4'-P energy: -17.234 bonds (distance) P-C4' energy: -26.902 flat angles C4'-P-C4' energy: -17.284 flat angles P-C4'-P energy: -14.834 tors. eta vs tors. theta energy: -22.103 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: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -236.103509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.103509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.103509 (E_RNA) where: Base-Base interactions energy: -139.144 where: short stacking energy: -65.913 Base-Backbone interact. energy: -0.901 local terms energy: -96.058021 where: bonds (distance) C4'-P energy: -23.275 bonds (distance) P-C4' energy: -24.612 flat angles C4'-P-C4' energy: -22.468 flat angles P-C4'-P energy: -12.395 tors. eta vs tors. theta energy: -13.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -130.138932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.138932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.138932 (E_RNA) where: Base-Base interactions energy: -55.873 where: short stacking energy: -36.623 Base-Backbone interact. energy: 0.924 local terms energy: -75.189710 where: bonds (distance) C4'-P energy: -20.342 bonds (distance) P-C4' energy: -25.125 flat angles C4'-P-C4' energy: -19.350 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: 0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -414.425351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.425351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.425351 (E_RNA) where: Base-Base interactions energy: -292.280 where: short stacking energy: -124.754 Base-Backbone interact. energy: 0.280 local terms energy: -122.425135 where: bonds (distance) C4'-P energy: -26.350 bonds (distance) P-C4' energy: -20.599 flat angles C4'-P-C4' energy: -25.795 flat angles P-C4'-P energy: -17.776 tors. eta vs tors. theta energy: -31.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -399.685973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.685973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.685973 (E_RNA) where: Base-Base interactions energy: -279.666 where: short stacking energy: -121.384 Base-Backbone interact. energy: -0.466 local terms energy: -119.554467 where: bonds (distance) C4'-P energy: -24.787 bonds (distance) P-C4' energy: -23.642 flat angles C4'-P-C4' energy: -22.534 flat angles P-C4'-P energy: -12.038 tors. eta vs tors. theta energy: -36.553 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: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -379.528265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.528265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.528265 (E_RNA) where: Base-Base interactions energy: -270.743 where: short stacking energy: -110.132 Base-Backbone interact. energy: -1.136 local terms energy: -107.649096 where: bonds (distance) C4'-P energy: -20.840 bonds (distance) P-C4' energy: -21.381 flat angles C4'-P-C4' energy: -19.557 flat angles P-C4'-P energy: -16.421 tors. eta vs tors. theta energy: -29.450 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: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -347.818382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.818382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.818382 (E_RNA) where: Base-Base interactions energy: -230.259 where: short stacking energy: -105.654 Base-Backbone interact. energy: -0.449 local terms energy: -117.111085 where: bonds (distance) C4'-P energy: -25.148 bonds (distance) P-C4' energy: -27.041 flat angles C4'-P-C4' energy: -19.654 flat angles P-C4'-P energy: -17.166 tors. eta vs tors. theta energy: -28.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -340.821293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.821293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.821293 (E_RNA) where: Base-Base interactions energy: -238.682 where: short stacking energy: -107.476 Base-Backbone interact. energy: 0.940 local terms energy: -103.079277 where: bonds (distance) C4'-P energy: -20.370 bonds (distance) P-C4' energy: -20.844 flat angles C4'-P-C4' energy: -19.413 flat angles P-C4'-P energy: -16.808 tors. eta vs tors. theta energy: -25.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -331.064163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.064163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.064163 (E_RNA) where: Base-Base interactions energy: -218.074 where: short stacking energy: -97.325 Base-Backbone interact. energy: -0.117 local terms energy: -112.873909 where: bonds (distance) C4'-P energy: -26.197 bonds (distance) P-C4' energy: -24.670 flat angles C4'-P-C4' energy: -22.960 flat angles P-C4'-P energy: -12.765 tors. eta vs tors. theta energy: -26.281 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: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -275.050543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.050543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.050543 (E_RNA) where: Base-Base interactions energy: -172.978 where: short stacking energy: -96.118 Base-Backbone interact. energy: -0.174 local terms energy: -101.898616 where: bonds (distance) C4'-P energy: -16.759 bonds (distance) P-C4' energy: -25.563 flat angles C4'-P-C4' energy: -16.694 flat angles P-C4'-P energy: -15.700 tors. eta vs tors. theta energy: -27.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -264.882840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.882840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.882840 (E_RNA) where: Base-Base interactions energy: -162.634 where: short stacking energy: -80.572 Base-Backbone interact. energy: -1.091 local terms energy: -101.157773 where: bonds (distance) C4'-P energy: -23.175 bonds (distance) P-C4' energy: -21.891 flat angles C4'-P-C4' energy: -28.177 flat angles P-C4'-P energy: -12.721 tors. eta vs tors. theta energy: -15.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -240.171510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.171510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.171510 (E_RNA) where: Base-Base interactions energy: -146.640 where: short stacking energy: -69.897 Base-Backbone interact. energy: -0.241 local terms energy: -93.290900 where: bonds (distance) C4'-P energy: -18.104 bonds (distance) P-C4' energy: -20.551 flat angles C4'-P-C4' energy: -22.868 flat angles P-C4'-P energy: -14.875 tors. eta vs tors. theta energy: -16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -111.611380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.611380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.611380 (E_RNA) where: Base-Base interactions energy: -36.224 where: short stacking energy: -31.270 Base-Backbone interact. energy: -1.199 local terms energy: -74.188936 where: bonds (distance) C4'-P energy: -19.864 bonds (distance) P-C4' energy: -22.398 flat angles C4'-P-C4' energy: -21.223 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -417.169081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.169081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.169081 (E_RNA) where: Base-Base interactions energy: -294.670 where: short stacking energy: -124.489 Base-Backbone interact. energy: -0.570 local terms energy: -121.928868 where: bonds (distance) C4'-P energy: -24.139 bonds (distance) P-C4' energy: -19.961 flat angles C4'-P-C4' energy: -21.793 flat angles P-C4'-P energy: -18.712 tors. eta vs tors. theta energy: -37.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -404.068757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.068757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.068757 (E_RNA) where: Base-Base interactions energy: -285.373 where: short stacking energy: -119.619 Base-Backbone interact. energy: -1.520 local terms energy: -117.175251 where: bonds (distance) C4'-P energy: -17.855 bonds (distance) P-C4' energy: -22.009 flat angles C4'-P-C4' energy: -22.865 flat angles P-C4'-P energy: -18.987 tors. eta vs tors. theta energy: -35.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -376.173398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.173398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.173398 (E_RNA) where: Base-Base interactions energy: -263.363 where: short stacking energy: -105.995 Base-Backbone interact. energy: -1.138 local terms energy: -111.672952 where: bonds (distance) C4'-P energy: -23.342 bonds (distance) P-C4' energy: -24.461 flat angles C4'-P-C4' energy: -19.121 flat angles P-C4'-P energy: -17.927 tors. eta vs tors. theta energy: -26.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -340.027751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.027751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.027751 (E_RNA) where: Base-Base interactions energy: -227.037 where: short stacking energy: -113.441 Base-Backbone interact. energy: -0.017 local terms energy: -112.973301 where: bonds (distance) C4'-P energy: -21.453 bonds (distance) P-C4' energy: -23.942 flat angles C4'-P-C4' energy: -22.811 flat angles P-C4'-P energy: -15.916 tors. eta vs tors. theta energy: -28.852 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: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -335.610438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.610438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.610438 (E_RNA) where: Base-Base interactions energy: -224.611 where: short stacking energy: -104.066 Base-Backbone interact. energy: -0.356 local terms energy: -110.644225 where: bonds (distance) C4'-P energy: -19.921 bonds (distance) P-C4' energy: -21.453 flat angles C4'-P-C4' energy: -24.526 flat angles P-C4'-P energy: -17.413 tors. eta vs tors. theta energy: -27.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -321.259106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.259106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.259106 (E_RNA) where: Base-Base interactions energy: -223.032 where: short stacking energy: -83.160 Base-Backbone interact. energy: -0.216 local terms energy: -98.010846 where: bonds (distance) C4'-P energy: -16.790 bonds (distance) P-C4' energy: -20.416 flat angles C4'-P-C4' energy: -24.943 flat angles P-C4'-P energy: -16.675 tors. eta vs tors. theta energy: -19.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -255.615121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.615121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.615121 (E_RNA) where: Base-Base interactions energy: -156.581 where: short stacking energy: -75.379 Base-Backbone interact. energy: -0.752 local terms energy: -98.282294 where: bonds (distance) C4'-P energy: -20.452 bonds (distance) P-C4' energy: -27.449 flat angles C4'-P-C4' energy: -22.511 flat angles P-C4'-P energy: -15.029 tors. eta vs tors. theta energy: -12.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -252.628946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.628946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.628946 (E_RNA) where: Base-Base interactions energy: -169.658 where: short stacking energy: -77.640 Base-Backbone interact. energy: 1.629 local terms energy: -84.600002 where: bonds (distance) C4'-P energy: -15.240 bonds (distance) P-C4' energy: -21.832 flat angles C4'-P-C4' energy: -22.231 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -17.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -182.114956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.114956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.114956 (E_RNA) where: Base-Base interactions energy: -93.447 where: short stacking energy: -39.702 Base-Backbone interact. energy: -1.196 local terms energy: -87.471819 where: bonds (distance) C4'-P energy: -25.076 bonds (distance) P-C4' energy: -23.174 flat angles C4'-P-C4' energy: -21.286 flat angles P-C4'-P energy: -12.737 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: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -177.346069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.346069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.346069 (E_RNA) where: Base-Base interactions energy: -95.108 where: short stacking energy: -52.499 Base-Backbone interact. energy: -1.051 local terms energy: -81.187808 where: bonds (distance) C4'-P energy: -18.212 bonds (distance) P-C4' energy: -21.403 flat angles C4'-P-C4' energy: -20.317 flat angles P-C4'-P energy: -13.292 tors. eta vs tors. theta energy: -7.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -403.656233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.656233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.656233 (E_RNA) where: Base-Base interactions energy: -275.472 where: short stacking energy: -122.658 Base-Backbone interact. energy: -0.089 local terms energy: -128.095008 where: bonds (distance) C4'-P energy: -23.353 bonds (distance) P-C4' energy: -26.173 flat angles C4'-P-C4' energy: -25.790 flat angles P-C4'-P energy: -18.306 tors. eta vs tors. theta energy: -34.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -410.182093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.182093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.182093 (E_RNA) where: Base-Base interactions energy: -281.593 where: short stacking energy: -119.052 Base-Backbone interact. energy: -0.012 local terms energy: -128.576586 where: bonds (distance) C4'-P energy: -22.967 bonds (distance) P-C4' energy: -28.586 flat angles C4'-P-C4' energy: -25.291 flat angles P-C4'-P energy: -15.187 tors. eta vs tors. theta energy: -36.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -385.358093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.358093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.358093 (E_RNA) where: Base-Base interactions energy: -271.562 where: short stacking energy: -117.949 Base-Backbone interact. energy: -0.103 local terms energy: -113.692719 where: bonds (distance) C4'-P energy: -19.704 bonds (distance) P-C4' energy: -21.395 flat angles C4'-P-C4' energy: -27.467 flat angles P-C4'-P energy: -18.075 tors. eta vs tors. theta energy: -27.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -356.710538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.710538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.710538 (E_RNA) where: Base-Base interactions energy: -231.168 where: short stacking energy: -99.630 Base-Backbone interact. energy: -1.672 local terms energy: -123.870260 where: bonds (distance) C4'-P energy: -25.279 bonds (distance) P-C4' energy: -25.033 flat angles C4'-P-C4' energy: -24.339 flat angles P-C4'-P energy: -18.232 tors. eta vs tors. theta energy: -30.987 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: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -334.378914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.378914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.378914 (E_RNA) where: Base-Base interactions energy: -223.833 where: short stacking energy: -109.721 Base-Backbone interact. energy: -0.668 local terms energy: -109.877798 where: bonds (distance) C4'-P energy: -25.065 bonds (distance) P-C4' energy: -21.284 flat angles C4'-P-C4' energy: -19.635 flat angles P-C4'-P energy: -12.878 tors. eta vs tors. theta energy: -31.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -337.818976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.818976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.818976 (E_RNA) where: Base-Base interactions energy: -235.830 where: short stacking energy: -98.819 Base-Backbone interact. energy: -0.604 local terms energy: -101.385565 where: bonds (distance) C4'-P energy: -20.293 bonds (distance) P-C4' energy: -19.493 flat angles C4'-P-C4' energy: -18.588 flat angles P-C4'-P energy: -18.214 tors. eta vs tors. theta energy: -24.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -248.556691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.556691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.556691 (E_RNA) where: Base-Base interactions energy: -163.974 where: short stacking energy: -78.724 Base-Backbone interact. energy: -0.222 local terms energy: -84.361006 where: bonds (distance) C4'-P energy: -17.332 bonds (distance) P-C4' energy: -19.301 flat angles C4'-P-C4' energy: -21.939 flat angles P-C4'-P energy: -10.503 tors. eta vs tors. theta energy: -15.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -245.445502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.445502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.445502 (E_RNA) where: Base-Base interactions energy: -152.974 where: short stacking energy: -69.719 Base-Backbone interact. energy: -1.434 local terms energy: -91.038259 where: bonds (distance) C4'-P energy: -21.151 bonds (distance) P-C4' energy: -18.618 flat angles C4'-P-C4' energy: -24.100 flat angles P-C4'-P energy: -14.113 tors. eta vs tors. theta energy: -13.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -179.069601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.069601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.069601 (E_RNA) where: Base-Base interactions energy: -95.345 where: short stacking energy: -54.676 Base-Backbone interact. energy: -0.221 local terms energy: -83.502635 where: bonds (distance) C4'-P energy: -17.534 bonds (distance) P-C4' energy: -25.340 flat angles C4'-P-C4' energy: -19.872 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -11.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -188.525054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.525054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.525054 (E_RNA) where: Base-Base interactions energy: -100.479 where: short stacking energy: -58.382 Base-Backbone interact. energy: -0.400 local terms energy: -87.646322 where: bonds (distance) C4'-P energy: -20.521 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -24.732 flat angles P-C4'-P energy: -14.112 tors. eta vs tors. theta energy: -15.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -418.475461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.475461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.475461 (E_RNA) where: Base-Base interactions energy: -299.209 where: short stacking energy: -129.366 Base-Backbone interact. energy: -0.558 local terms energy: -118.709034 where: bonds (distance) C4'-P energy: -27.349 bonds (distance) P-C4' energy: -20.575 flat angles C4'-P-C4' energy: -26.219 flat angles P-C4'-P energy: -12.542 tors. eta vs tors. theta energy: -32.024 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: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -398.694402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.694402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.694402 (E_RNA) where: Base-Base interactions energy: -271.384 where: short stacking energy: -117.333 Base-Backbone interact. energy: -0.261 local terms energy: -127.048639 where: bonds (distance) C4'-P energy: -19.459 bonds (distance) P-C4' energy: -24.705 flat angles C4'-P-C4' energy: -28.924 flat angles P-C4'-P energy: -18.739 tors. eta vs tors. theta energy: -35.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -399.449222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.449222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.449222 (E_RNA) where: Base-Base interactions energy: -276.869 where: short stacking energy: -117.757 Base-Backbone interact. energy: -0.401 local terms energy: -122.178356 where: bonds (distance) C4'-P energy: -22.932 bonds (distance) P-C4' energy: -25.863 flat angles C4'-P-C4' energy: -25.367 flat angles P-C4'-P energy: -16.829 tors. eta vs tors. theta energy: -31.187 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: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -344.120895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.120895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.120895 (E_RNA) where: Base-Base interactions energy: -231.601 where: short stacking energy: -95.493 Base-Backbone interact. energy: -0.416 local terms energy: -112.104169 where: bonds (distance) C4'-P energy: -22.986 bonds (distance) P-C4' energy: -23.335 flat angles C4'-P-C4' energy: -28.587 flat angles P-C4'-P energy: -14.613 tors. eta vs tors. theta energy: -22.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -326.168237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.168237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.168237 (E_RNA) where: Base-Base interactions energy: -208.101 where: short stacking energy: -110.155 Base-Backbone interact. energy: -0.982 local terms energy: -117.085394 where: bonds (distance) C4'-P energy: -23.005 bonds (distance) P-C4' energy: -20.351 flat angles C4'-P-C4' energy: -23.319 flat angles P-C4'-P energy: -17.831 tors. eta vs tors. theta energy: -32.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -327.908725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.908725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.908725 (E_RNA) where: Base-Base interactions energy: -222.098 where: short stacking energy: -96.032 Base-Backbone interact. energy: -0.524 local terms energy: -105.287443 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -23.716 flat angles C4'-P-C4' energy: -26.572 flat angles P-C4'-P energy: -19.266 tors. eta vs tors. theta energy: -22.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -256.577889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.577889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.577889 (E_RNA) where: Base-Base interactions energy: -157.070 where: short stacking energy: -74.397 Base-Backbone interact. energy: -0.574 local terms energy: -98.934000 where: bonds (distance) C4'-P energy: -20.857 bonds (distance) P-C4' energy: -21.241 flat angles C4'-P-C4' energy: -25.719 flat angles P-C4'-P energy: -15.872 tors. eta vs tors. theta energy: -15.246 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: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -255.840421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.840421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.840421 (E_RNA) where: Base-Base interactions energy: -159.355 where: short stacking energy: -82.395 Base-Backbone interact. energy: -0.504 local terms energy: -95.982047 where: bonds (distance) C4'-P energy: -18.706 bonds (distance) P-C4' energy: -20.125 flat angles C4'-P-C4' energy: -22.793 flat angles P-C4'-P energy: -16.090 tors. eta vs tors. theta energy: -18.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -186.880569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.880569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.880569 (E_RNA) where: Base-Base interactions energy: -100.257 where: short stacking energy: -55.099 Base-Backbone interact. energy: -0.641 local terms energy: -85.982339 where: bonds (distance) C4'-P energy: -17.640 bonds (distance) P-C4' energy: -21.621 flat angles C4'-P-C4' energy: -24.714 flat angles P-C4'-P energy: -12.926 tors. eta vs tors. theta energy: -9.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -198.883332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.883332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.883332 (E_RNA) where: Base-Base interactions energy: -117.817 where: short stacking energy: -70.607 Base-Backbone interact. energy: -0.270 local terms energy: -80.796298 where: bonds (distance) C4'-P energy: -17.350 bonds (distance) P-C4' energy: -23.419 flat angles C4'-P-C4' energy: -17.858 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -18.571 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: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -413.680327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.680327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.680327 (E_RNA) where: Base-Base interactions energy: -301.814 where: short stacking energy: -125.998 Base-Backbone interact. energy: -0.018 local terms energy: -111.848677 where: bonds (distance) C4'-P energy: -20.659 bonds (distance) P-C4' energy: -17.186 flat angles C4'-P-C4' energy: -26.020 flat angles P-C4'-P energy: -12.949 tors. eta vs tors. theta energy: -35.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -407.246957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.246957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.246957 (E_RNA) where: Base-Base interactions energy: -284.754 where: short stacking energy: -118.895 Base-Backbone interact. energy: -0.372 local terms energy: -122.120890 where: bonds (distance) C4'-P energy: -25.222 bonds (distance) P-C4' energy: -22.994 flat angles C4'-P-C4' energy: -27.761 flat angles P-C4'-P energy: -17.190 tors. eta vs tors. theta energy: -28.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -401.818002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.818002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.818002 (E_RNA) where: Base-Base interactions energy: -267.897 where: short stacking energy: -120.645 Base-Backbone interact. energy: -1.116 local terms energy: -132.805298 where: bonds (distance) C4'-P energy: -25.068 bonds (distance) P-C4' energy: -26.715 flat angles C4'-P-C4' energy: -27.997 flat angles P-C4'-P energy: -16.444 tors. eta vs tors. theta energy: -36.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -346.423648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.423648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.423648 (E_RNA) where: Base-Base interactions energy: -224.264 where: short stacking energy: -119.123 Base-Backbone interact. energy: -0.446 local terms energy: -121.713885 where: bonds (distance) C4'-P energy: -19.020 bonds (distance) P-C4' energy: -23.673 flat angles C4'-P-C4' energy: -25.626 flat angles P-C4'-P energy: -19.378 tors. eta vs tors. theta energy: -34.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -361.919737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.919737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.919737 (E_RNA) where: Base-Base interactions energy: -249.890 where: short stacking energy: -110.313 Base-Backbone interact. energy: -1.025 local terms energy: -111.004896 where: bonds (distance) C4'-P energy: -17.864 bonds (distance) P-C4' energy: -22.878 flat angles C4'-P-C4' energy: -20.480 flat angles P-C4'-P energy: -17.235 tors. eta vs tors. theta energy: -32.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -349.823366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.823366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.823366 (E_RNA) where: Base-Base interactions energy: -238.462 where: short stacking energy: -110.883 Base-Backbone interact. energy: -0.310 local terms energy: -111.050775 where: bonds (distance) C4'-P energy: -18.027 bonds (distance) P-C4' energy: -23.917 flat angles C4'-P-C4' energy: -25.916 flat angles P-C4'-P energy: -12.182 tors. eta vs tors. theta energy: -31.009 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: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -245.048433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.048433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.048433 (E_RNA) where: Base-Base interactions energy: -150.994 where: short stacking energy: -64.215 Base-Backbone interact. energy: 0.898 local terms energy: -94.952687 where: bonds (distance) C4'-P energy: -21.049 bonds (distance) P-C4' energy: -23.745 flat angles C4'-P-C4' energy: -21.856 flat angles P-C4'-P energy: -14.537 tors. eta vs tors. theta energy: -13.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -275.139275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.139275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.139275 (E_RNA) where: Base-Base interactions energy: -176.719 where: short stacking energy: -74.146 Base-Backbone interact. energy: -0.609 local terms energy: -97.811735 where: bonds (distance) C4'-P energy: -25.213 bonds (distance) P-C4' energy: -18.898 flat angles C4'-P-C4' energy: -18.528 flat angles P-C4'-P energy: -16.157 tors. eta vs tors. theta energy: -19.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -207.845496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.845496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.845496 (E_RNA) where: Base-Base interactions energy: -127.458 where: short stacking energy: -73.457 Base-Backbone interact. energy: 2.460 local terms energy: -82.847199 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -20.380 flat angles P-C4'-P energy: -12.518 tors. eta vs tors. theta energy: -17.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -214.875032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.875032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.875032 (E_RNA) where: Base-Base interactions energy: -132.389 where: short stacking energy: -51.724 Base-Backbone interact. energy: 0.878 local terms energy: -83.364054 where: bonds (distance) C4'-P energy: -22.695 bonds (distance) P-C4' energy: -22.185 flat angles C4'-P-C4' energy: -24.620 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -390.227275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.227275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.227275 (E_RNA) where: Base-Base interactions energy: -269.862 where: short stacking energy: -108.456 Base-Backbone interact. energy: -0.607 local terms energy: -119.758509 where: bonds (distance) C4'-P energy: -24.079 bonds (distance) P-C4' energy: -28.303 flat angles C4'-P-C4' energy: -26.544 flat angles P-C4'-P energy: -13.426 tors. eta vs tors. theta energy: -27.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -406.323481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.323481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.323481 (E_RNA) where: Base-Base interactions energy: -274.573 where: short stacking energy: -115.731 Base-Backbone interact. energy: -0.216 local terms energy: -131.533986 where: bonds (distance) C4'-P energy: -21.259 bonds (distance) P-C4' energy: -28.454 flat angles C4'-P-C4' energy: -25.669 flat angles P-C4'-P energy: -17.550 tors. eta vs tors. theta energy: -38.603 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: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -390.719149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.719149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.719149 (E_RNA) where: Base-Base interactions energy: -273.545 where: short stacking energy: -113.574 Base-Backbone interact. energy: -0.008 local terms energy: -117.166348 where: bonds (distance) C4'-P energy: -17.549 bonds (distance) P-C4' energy: -25.457 flat angles C4'-P-C4' energy: -24.786 flat angles P-C4'-P energy: -13.059 tors. eta vs tors. theta energy: -36.317 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: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -345.383453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.383453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.383453 (E_RNA) where: Base-Base interactions energy: -222.089 where: short stacking energy: -116.264 Base-Backbone interact. energy: -0.342 local terms energy: -122.953360 where: bonds (distance) C4'-P energy: -19.946 bonds (distance) P-C4' energy: -23.888 flat angles C4'-P-C4' energy: -25.807 flat angles P-C4'-P energy: -17.159 tors. eta vs tors. theta energy: -36.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -351.571768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.571768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.571768 (E_RNA) where: Base-Base interactions energy: -243.292 where: short stacking energy: -106.773 Base-Backbone interact. energy: -1.994 local terms energy: -106.286626 where: bonds (distance) C4'-P energy: -21.661 bonds (distance) P-C4' energy: -19.452 flat angles C4'-P-C4' energy: -24.755 flat angles P-C4'-P energy: -14.706 tors. eta vs tors. theta energy: -25.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -345.730659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.730659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.730659 (E_RNA) where: Base-Base interactions energy: -233.794 where: short stacking energy: -102.001 Base-Backbone interact. energy: -0.667 local terms energy: -111.269990 where: bonds (distance) C4'-P energy: -17.860 bonds (distance) P-C4' energy: -26.576 flat angles C4'-P-C4' energy: -20.636 flat angles P-C4'-P energy: -14.248 tors. eta vs tors. theta energy: -31.950 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: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -253.628825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.628825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.628825 (E_RNA) where: Base-Base interactions energy: -162.099 where: short stacking energy: -78.068 Base-Backbone interact. energy: -0.686 local terms energy: -90.843414 where: bonds (distance) C4'-P energy: -25.531 bonds (distance) P-C4' energy: -17.387 flat angles C4'-P-C4' energy: -19.304 flat angles P-C4'-P energy: -10.092 tors. eta vs tors. theta energy: -18.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -267.768855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.768855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.768855 (E_RNA) where: Base-Base interactions energy: -175.107 where: short stacking energy: -91.648 Base-Backbone interact. energy: -1.043 local terms energy: -91.619100 where: bonds (distance) C4'-P energy: -18.001 bonds (distance) P-C4' energy: -20.948 flat angles C4'-P-C4' energy: -19.983 flat angles P-C4'-P energy: -12.004 tors. eta vs tors. theta energy: -20.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -224.082251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.082251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.082251 (E_RNA) where: Base-Base interactions energy: -137.401 where: short stacking energy: -55.321 Base-Backbone interact. energy: 0.414 local terms energy: -87.095616 where: bonds (distance) C4'-P energy: -20.666 bonds (distance) P-C4' energy: -23.028 flat angles C4'-P-C4' energy: -23.343 flat angles P-C4'-P energy: -17.110 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -206.972248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.972248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.972248 (E_RNA) where: Base-Base interactions energy: -136.921 where: short stacking energy: -65.997 Base-Backbone interact. energy: -0.496 local terms energy: -69.554921 where: bonds (distance) C4'-P energy: -18.283 bonds (distance) P-C4' energy: -20.485 flat angles C4'-P-C4' energy: -15.969 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -11.061 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: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -418.213668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.213668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.213668 (E_RNA) where: Base-Base interactions energy: -306.631 where: short stacking energy: -120.664 Base-Backbone interact. energy: -0.381 local terms energy: -111.201373 where: bonds (distance) C4'-P energy: -26.701 bonds (distance) P-C4' energy: -25.187 flat angles C4'-P-C4' energy: -19.945 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -33.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -387.773342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.773342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.773342 (E_RNA) where: Base-Base interactions energy: -266.012 where: short stacking energy: -119.406 Base-Backbone interact. energy: -0.037 local terms energy: -121.724060 where: bonds (distance) C4'-P energy: -19.260 bonds (distance) P-C4' energy: -22.880 flat angles C4'-P-C4' energy: -26.537 flat angles P-C4'-P energy: -17.665 tors. eta vs tors. theta energy: -35.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -370.403511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.403511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.403511 (E_RNA) where: Base-Base interactions energy: -252.747 where: short stacking energy: -118.870 Base-Backbone interact. energy: -0.080 local terms energy: -117.576894 where: bonds (distance) C4'-P energy: -19.216 bonds (distance) P-C4' energy: -26.691 flat angles C4'-P-C4' energy: -29.487 flat angles P-C4'-P energy: -12.565 tors. eta vs tors. theta energy: -29.618 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: 4, replica: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -358.873094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.873094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.873094 (E_RNA) where: Base-Base interactions energy: -251.976 where: short stacking energy: -102.824 Base-Backbone interact. energy: -1.084 local terms energy: -105.813394 where: bonds (distance) C4'-P energy: -20.322 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -23.701 flat angles P-C4'-P energy: -13.248 tors. eta vs tors. theta energy: -31.258 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: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -333.736669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.736669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.736669 (E_RNA) where: Base-Base interactions energy: -220.774 where: short stacking energy: -110.093 Base-Backbone interact. energy: -0.739 local terms energy: -112.222954 where: bonds (distance) C4'-P energy: -19.038 bonds (distance) P-C4' energy: -24.852 flat angles C4'-P-C4' energy: -23.246 flat angles P-C4'-P energy: -12.464 tors. eta vs tors. theta energy: -32.622 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: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -336.323541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.323541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.323541 (E_RNA) where: Base-Base interactions energy: -228.039 where: short stacking energy: -101.577 Base-Backbone interact. energy: -0.643 local terms energy: -107.641962 where: bonds (distance) C4'-P energy: -19.069 bonds (distance) P-C4' energy: -25.911 flat angles C4'-P-C4' energy: -19.902 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -31.690 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: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -252.381515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.381515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.381515 (E_RNA) where: Base-Base interactions energy: -160.471 where: short stacking energy: -63.145 Base-Backbone interact. energy: -0.501 local terms energy: -91.410118 where: bonds (distance) C4'-P energy: -21.844 bonds (distance) P-C4' energy: -23.028 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -13.959 tors. eta vs tors. theta energy: -18.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -230.421368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.421368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.421368 (E_RNA) where: Base-Base interactions energy: -146.262 where: short stacking energy: -66.074 Base-Backbone interact. energy: -0.023 local terms energy: -84.136642 where: bonds (distance) C4'-P energy: -23.512 bonds (distance) P-C4' energy: -24.491 flat angles C4'-P-C4' energy: -22.800 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -218.436847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.436847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.436847 (E_RNA) where: Base-Base interactions energy: -133.881 where: short stacking energy: -57.675 Base-Backbone interact. energy: -1.300 local terms energy: -83.256369 where: bonds (distance) C4'-P energy: -20.650 bonds (distance) P-C4' energy: -24.896 flat angles C4'-P-C4' energy: -17.693 flat angles P-C4'-P energy: -7.643 tors. eta vs tors. theta energy: -12.375 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: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -207.201040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.201040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.201040 (E_RNA) where: Base-Base interactions energy: -126.235 where: short stacking energy: -62.778 Base-Backbone interact. energy: -1.004 local terms energy: -79.962599 where: bonds (distance) C4'-P energy: -21.694 bonds (distance) P-C4' energy: -16.172 flat angles C4'-P-C4' energy: -22.596 flat angles P-C4'-P energy: -13.577 tors. eta vs tors. theta energy: -5.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -401.259012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.259012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.259012 (E_RNA) where: Base-Base interactions energy: -283.923 where: short stacking energy: -112.726 Base-Backbone interact. energy: -0.069 local terms energy: -117.267061 where: bonds (distance) C4'-P energy: -22.739 bonds (distance) P-C4' energy: -20.557 flat angles C4'-P-C4' energy: -27.703 flat angles P-C4'-P energy: -12.662 tors. eta vs tors. theta energy: -33.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -395.235743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.235743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.235743 (E_RNA) where: Base-Base interactions energy: -260.731 where: short stacking energy: -111.695 Base-Backbone interact. energy: -0.047 local terms energy: -134.457514 where: bonds (distance) C4'-P energy: -24.839 bonds (distance) P-C4' energy: -26.304 flat angles C4'-P-C4' energy: -28.830 flat angles P-C4'-P energy: -17.064 tors. eta vs tors. theta energy: -37.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -377.144359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.144359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.144359 (E_RNA) where: Base-Base interactions energy: -260.664 where: short stacking energy: -108.033 Base-Backbone interact. energy: -0.772 local terms energy: -115.707913 where: bonds (distance) C4'-P energy: -21.897 bonds (distance) P-C4' energy: -26.769 flat angles C4'-P-C4' energy: -20.841 flat angles P-C4'-P energy: -16.865 tors. eta vs tors. theta energy: -29.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -377.874835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.874835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.874835 (E_RNA) where: Base-Base interactions energy: -255.567 where: short stacking energy: -108.091 Base-Backbone interact. energy: -0.573 local terms energy: -121.734737 where: bonds (distance) C4'-P energy: -24.226 bonds (distance) P-C4' energy: -23.934 flat angles C4'-P-C4' energy: -21.944 flat angles P-C4'-P energy: -19.533 tors. eta vs tors. theta energy: -32.098 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: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -333.264513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.264513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.264513 (E_RNA) where: Base-Base interactions energy: -224.173 where: short stacking energy: -100.663 Base-Backbone interact. energy: -1.336 local terms energy: -107.755280 where: bonds (distance) C4'-P energy: -22.608 bonds (distance) P-C4' energy: -24.717 flat angles C4'-P-C4' energy: -21.947 flat angles P-C4'-P energy: -13.695 tors. eta vs tors. theta energy: -24.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -318.954337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.954337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.954337 (E_RNA) where: Base-Base interactions energy: -211.745 where: short stacking energy: -100.467 Base-Backbone interact. energy: -0.142 local terms energy: -107.067421 where: bonds (distance) C4'-P energy: -20.393 bonds (distance) P-C4' energy: -22.793 flat angles C4'-P-C4' energy: -22.236 flat angles P-C4'-P energy: -14.448 tors. eta vs tors. theta energy: -27.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -231.440667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.440667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.440667 (E_RNA) where: Base-Base interactions energy: -145.485 where: short stacking energy: -72.316 Base-Backbone interact. energy: -0.302 local terms energy: -85.654517 where: bonds (distance) C4'-P energy: -19.392 bonds (distance) P-C4' energy: -26.013 flat angles C4'-P-C4' energy: -16.582 flat angles P-C4'-P energy: -12.983 tors. eta vs tors. theta energy: -10.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -226.033014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.033014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.033014 (E_RNA) where: Base-Base interactions energy: -148.625 where: short stacking energy: -64.180 Base-Backbone interact. energy: -0.530 local terms energy: -76.878778 where: bonds (distance) C4'-P energy: -14.367 bonds (distance) P-C4' energy: -18.949 flat angles C4'-P-C4' energy: -20.927 flat angles P-C4'-P energy: -16.799 tors. eta vs tors. theta energy: -5.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -205.889856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.889856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.889856 (E_RNA) where: Base-Base interactions energy: -119.076 where: short stacking energy: -61.905 Base-Backbone interact. energy: 1.095 local terms energy: -87.909329 where: bonds (distance) C4'-P energy: -20.742 bonds (distance) P-C4' energy: -21.019 flat angles C4'-P-C4' energy: -18.883 flat angles P-C4'-P energy: -18.665 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: 10, replica: 5 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -180.748939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.748939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.748939 (E_RNA) where: Base-Base interactions energy: -99.958 where: short stacking energy: -51.357 Base-Backbone interact. energy: -0.144 local terms energy: -80.646633 where: bonds (distance) C4'-P energy: -21.553 bonds (distance) P-C4' energy: -25.063 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -8.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -396.985678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.985678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.985678 (E_RNA) where: Base-Base interactions energy: -274.027 where: short stacking energy: -117.213 Base-Backbone interact. energy: -0.669 local terms energy: -122.290079 where: bonds (distance) C4'-P energy: -19.994 bonds (distance) P-C4' energy: -25.130 flat angles C4'-P-C4' energy: -25.905 flat angles P-C4'-P energy: -20.579 tors. eta vs tors. theta energy: -30.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -415.312984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.312984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.312984 (E_RNA) where: Base-Base interactions energy: -292.155 where: short stacking energy: -116.938 Base-Backbone interact. energy: -0.015 local terms energy: -123.142720 where: bonds (distance) C4'-P energy: -21.411 bonds (distance) P-C4' energy: -26.738 flat angles C4'-P-C4' energy: -22.085 flat angles P-C4'-P energy: -15.860 tors. eta vs tors. theta energy: -37.050 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: 411 Temperature: 1.000000 Total energy: -391.874152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.874152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.874152 (E_RNA) where: Base-Base interactions energy: -263.022 where: short stacking energy: -111.031 Base-Backbone interact. energy: -0.654 local terms energy: -128.198471 where: bonds (distance) C4'-P energy: -24.600 bonds (distance) P-C4' energy: -25.416 flat angles C4'-P-C4' energy: -25.483 flat angles P-C4'-P energy: -18.480 tors. eta vs tors. theta energy: -34.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -361.819128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.819128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.819128 (E_RNA) where: Base-Base interactions energy: -251.140 where: short stacking energy: -111.470 Base-Backbone interact. energy: -0.498 local terms energy: -110.181659 where: bonds (distance) C4'-P energy: -21.020 bonds (distance) P-C4' energy: -22.407 flat angles C4'-P-C4' energy: -21.398 flat angles P-C4'-P energy: -14.599 tors. eta vs tors. theta energy: -30.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -335.842759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.842759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.842759 (E_RNA) where: Base-Base interactions energy: -223.407 where: short stacking energy: -92.392 Base-Backbone interact. energy: -0.525 local terms energy: -111.910991 where: bonds (distance) C4'-P energy: -23.184 bonds (distance) P-C4' energy: -22.278 flat angles C4'-P-C4' energy: -24.851 flat angles P-C4'-P energy: -19.059 tors. eta vs tors. theta energy: -22.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -336.045400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.045400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.045400 (E_RNA) where: Base-Base interactions energy: -226.803 where: short stacking energy: -108.070 Base-Backbone interact. energy: 0.795 local terms energy: -110.037952 where: bonds (distance) C4'-P energy: -16.391 bonds (distance) P-C4' energy: -24.098 flat angles C4'-P-C4' energy: -21.577 flat angles P-C4'-P energy: -17.631 tors. eta vs tors. theta energy: -30.342 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: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -239.959560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.959560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.959560 (E_RNA) where: Base-Base interactions energy: -158.645 where: short stacking energy: -68.630 Base-Backbone interact. energy: 1.037 local terms energy: -82.351517 where: bonds (distance) C4'-P energy: -19.007 bonds (distance) P-C4' energy: -22.840 flat angles C4'-P-C4' energy: -17.482 flat angles P-C4'-P energy: -15.085 tors. eta vs tors. theta energy: -7.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -234.436871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.436871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.436871 (E_RNA) where: Base-Base interactions energy: -150.576 where: short stacking energy: -66.704 Base-Backbone interact. energy: 1.811 local terms energy: -85.672041 where: bonds (distance) C4'-P energy: -14.705 bonds (distance) P-C4' energy: -22.275 flat angles C4'-P-C4' energy: -25.655 flat angles P-C4'-P energy: -13.753 tors. eta vs tors. theta energy: -9.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -184.528743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.528743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.528743 (E_RNA) where: Base-Base interactions energy: -109.149 where: short stacking energy: -58.342 Base-Backbone interact. energy: -1.148 local terms energy: -74.232244 where: bonds (distance) C4'-P energy: -21.312 bonds (distance) P-C4' energy: -23.064 flat angles C4'-P-C4' energy: -16.884 flat angles P-C4'-P energy: -7.806 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: 10, replica: 5 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -197.451669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.451669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.451669 (E_RNA) where: Base-Base interactions energy: -111.639 where: short stacking energy: -67.353 Base-Backbone interact. energy: 0.017 local terms energy: -85.830424 where: bonds (distance) C4'-P energy: -25.532 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -15.924 flat angles P-C4'-P energy: -15.238 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -421.387481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.387481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.387481 (E_RNA) where: Base-Base interactions energy: -300.520 where: short stacking energy: -123.143 Base-Backbone interact. energy: -0.013 local terms energy: -120.854740 where: bonds (distance) C4'-P energy: -23.233 bonds (distance) P-C4' energy: -23.238 flat angles C4'-P-C4' energy: -24.591 flat angles P-C4'-P energy: -13.624 tors. eta vs tors. theta energy: -36.169 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: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -374.215975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.215975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.215975 (E_RNA) where: Base-Base interactions energy: -260.650 where: short stacking energy: -99.747 Base-Backbone interact. energy: -0.285 local terms energy: -113.281484 where: bonds (distance) C4'-P energy: -25.378 bonds (distance) P-C4' energy: -22.781 flat angles C4'-P-C4' energy: -25.011 flat angles P-C4'-P energy: -12.735 tors. eta vs tors. theta energy: -27.377 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: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -397.273832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.273832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.273832 (E_RNA) where: Base-Base interactions energy: -278.973 where: short stacking energy: -116.812 Base-Backbone interact. energy: -0.934 local terms energy: -117.367380 where: bonds (distance) C4'-P energy: -17.358 bonds (distance) P-C4' energy: -20.311 flat angles C4'-P-C4' energy: -25.746 flat angles P-C4'-P energy: -17.254 tors. eta vs tors. theta energy: -36.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -353.380324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.380324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.380324 (E_RNA) where: Base-Base interactions energy: -248.413 where: short stacking energy: -107.303 Base-Backbone interact. energy: -0.671 local terms energy: -104.296414 where: bonds (distance) C4'-P energy: -12.876 bonds (distance) P-C4' energy: -22.207 flat angles C4'-P-C4' energy: -23.173 flat angles P-C4'-P energy: -15.826 tors. eta vs tors. theta energy: -30.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -345.263040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.263040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.263040 (E_RNA) where: Base-Base interactions energy: -225.023 where: short stacking energy: -108.700 Base-Backbone interact. energy: -0.094 local terms energy: -120.145913 where: bonds (distance) C4'-P energy: -20.953 bonds (distance) P-C4' energy: -19.596 flat angles C4'-P-C4' energy: -27.508 flat angles P-C4'-P energy: -18.685 tors. eta vs tors. theta energy: -33.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -336.364535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.364535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.364535 (E_RNA) where: Base-Base interactions energy: -236.335 where: short stacking energy: -95.509 Base-Backbone interact. energy: 2.755 local terms energy: -102.784395 where: bonds (distance) C4'-P energy: -20.917 bonds (distance) P-C4' energy: -23.492 flat angles C4'-P-C4' energy: -21.911 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -26.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -245.923536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.923536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.923536 (E_RNA) where: Base-Base interactions energy: -151.496 where: short stacking energy: -71.565 Base-Backbone interact. energy: -0.614 local terms energy: -93.813014 where: bonds (distance) C4'-P energy: -25.317 bonds (distance) P-C4' energy: -21.299 flat angles C4'-P-C4' energy: -21.734 flat angles P-C4'-P energy: -15.967 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: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -247.468672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.468672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.468672 (E_RNA) where: Base-Base interactions energy: -159.209 where: short stacking energy: -75.162 Base-Backbone interact. energy: -0.328 local terms energy: -87.931733 where: bonds (distance) C4'-P energy: -16.470 bonds (distance) P-C4' energy: -25.107 flat angles C4'-P-C4' energy: -19.371 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -18.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -202.960807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.960807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.960807 (E_RNA) where: Base-Base interactions energy: -112.942 where: short stacking energy: -68.741 Base-Backbone interact. energy: 0.370 local terms energy: -90.388696 where: bonds (distance) C4'-P energy: -21.271 bonds (distance) P-C4' energy: -22.618 flat angles C4'-P-C4' energy: -24.467 flat angles P-C4'-P energy: -13.057 tors. eta vs tors. theta energy: -8.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -171.507845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.507845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.507845 (E_RNA) where: Base-Base interactions energy: -99.624 where: short stacking energy: -56.368 Base-Backbone interact. energy: 1.333 local terms energy: -73.216333 where: bonds (distance) C4'-P energy: -18.709 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -21.508 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -8.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -416.865650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.865650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.865650 (E_RNA) where: Base-Base interactions energy: -298.389 where: short stacking energy: -109.457 Base-Backbone interact. energy: -0.676 local terms energy: -117.799925 where: bonds (distance) C4'-P energy: -21.833 bonds (distance) P-C4' energy: -23.552 flat angles C4'-P-C4' energy: -25.337 flat angles P-C4'-P energy: -13.337 tors. eta vs tors. theta energy: -33.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -402.262012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.262012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.262012 (E_RNA) where: Base-Base interactions energy: -270.786 where: short stacking energy: -125.726 Base-Backbone interact. energy: 0.243 local terms energy: -131.718436 where: bonds (distance) C4'-P energy: -25.174 bonds (distance) P-C4' energy: -24.145 flat angles C4'-P-C4' energy: -31.509 flat angles P-C4'-P energy: -16.506 tors. eta vs tors. theta energy: -34.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -375.391493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.391493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.391493 (E_RNA) where: Base-Base interactions energy: -257.174 where: short stacking energy: -110.834 Base-Backbone interact. energy: -0.105 local terms energy: -118.112627 where: bonds (distance) C4'-P energy: -28.131 bonds (distance) P-C4' energy: -23.757 flat angles C4'-P-C4' energy: -25.113 flat angles P-C4'-P energy: -15.807 tors. eta vs tors. theta energy: -25.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -366.138812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.138812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.138812 (E_RNA) where: Base-Base interactions energy: -255.541 where: short stacking energy: -96.329 Base-Backbone interact. energy: -0.334 local terms energy: -110.263714 where: bonds (distance) C4'-P energy: -23.170 bonds (distance) P-C4' energy: -24.651 flat angles C4'-P-C4' energy: -21.283 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -28.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -340.814760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.814760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.814760 (E_RNA) where: Base-Base interactions energy: -222.833 where: short stacking energy: -104.434 Base-Backbone interact. energy: -0.424 local terms energy: -117.557489 where: bonds (distance) C4'-P energy: -25.566 bonds (distance) P-C4' energy: -18.405 flat angles C4'-P-C4' energy: -27.932 flat angles P-C4'-P energy: -15.772 tors. eta vs tors. theta energy: -29.883 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: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -345.187387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.187387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.187387 (E_RNA) where: Base-Base interactions energy: -237.999 where: short stacking energy: -108.853 Base-Backbone interact. energy: -0.224 local terms energy: -106.963899 where: bonds (distance) C4'-P energy: -18.568 bonds (distance) P-C4' energy: -28.199 flat angles C4'-P-C4' energy: -25.561 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -31.277 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: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -261.858628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.858628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.858628 (E_RNA) where: Base-Base interactions energy: -164.743 where: short stacking energy: -70.943 Base-Backbone interact. energy: -0.346 local terms energy: -96.769132 where: bonds (distance) C4'-P energy: -25.528 bonds (distance) P-C4' energy: -23.237 flat angles C4'-P-C4' energy: -24.889 flat angles P-C4'-P energy: -16.482 tors. eta vs tors. theta energy: -6.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -228.192639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.192639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.192639 (E_RNA) where: Base-Base interactions energy: -132.983 where: short stacking energy: -64.258 Base-Backbone interact. energy: -0.353 local terms energy: -94.856645 where: bonds (distance) C4'-P energy: -18.043 bonds (distance) P-C4' energy: -25.452 flat angles C4'-P-C4' energy: -20.968 flat angles P-C4'-P energy: -17.897 tors. eta vs tors. theta energy: -12.496 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: 9, replica: 5 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -195.231991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.231991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.231991 (E_RNA) where: Base-Base interactions energy: -108.660 where: short stacking energy: -56.951 Base-Backbone interact. energy: -0.899 local terms energy: -85.673233 where: bonds (distance) C4'-P energy: -20.945 bonds (distance) P-C4' energy: -24.279 flat angles C4'-P-C4' energy: -20.770 flat angles P-C4'-P energy: -10.484 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: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -178.208698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.208698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.208698 (E_RNA) where: Base-Base interactions energy: -105.767 where: short stacking energy: -61.953 Base-Backbone interact. energy: -0.576 local terms energy: -71.865669 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -21.682 flat angles C4'-P-C4' energy: -15.629 flat angles P-C4'-P energy: -15.206 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -417.216280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.216280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.216280 (E_RNA) where: Base-Base interactions energy: -303.014 where: short stacking energy: -118.566 Base-Backbone interact. energy: -0.358 local terms energy: -113.844669 where: bonds (distance) C4'-P energy: -20.887 bonds (distance) P-C4' energy: -18.870 flat angles C4'-P-C4' energy: -28.507 flat angles P-C4'-P energy: -14.422 tors. eta vs tors. theta energy: -31.158 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: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -401.155652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.155652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.155652 (E_RNA) where: Base-Base interactions energy: -275.967 where: short stacking energy: -112.480 Base-Backbone interact. energy: -0.178 local terms energy: -125.010592 where: bonds (distance) C4'-P energy: -21.127 bonds (distance) P-C4' energy: -25.758 flat angles C4'-P-C4' energy: -20.360 flat angles P-C4'-P energy: -20.663 tors. eta vs tors. theta energy: -37.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -368.713573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.713573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.713573 (E_RNA) where: Base-Base interactions energy: -250.567 where: short stacking energy: -108.029 Base-Backbone interact. energy: -0.352 local terms energy: -117.794675 where: bonds (distance) C4'-P energy: -23.731 bonds (distance) P-C4' energy: -27.026 flat angles C4'-P-C4' energy: -24.411 flat angles P-C4'-P energy: -18.487 tors. eta vs tors. theta energy: -24.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -364.521407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.521407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.521407 (E_RNA) where: Base-Base interactions energy: -251.928 where: short stacking energy: -102.036 Base-Backbone interact. energy: -0.075 local terms energy: -112.517952 where: bonds (distance) C4'-P energy: -20.765 bonds (distance) P-C4' energy: -24.733 flat angles C4'-P-C4' energy: -26.482 flat angles P-C4'-P energy: -11.577 tors. eta vs tors. theta energy: -28.961 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: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -343.889787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.889787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.889787 (E_RNA) where: Base-Base interactions energy: -233.147 where: short stacking energy: -91.572 Base-Backbone interact. energy: -0.061 local terms energy: -110.681572 where: bonds (distance) C4'-P energy: -26.029 bonds (distance) P-C4' energy: -22.176 flat angles C4'-P-C4' energy: -19.847 flat angles P-C4'-P energy: -16.344 tors. eta vs tors. theta energy: -26.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -322.926862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.926862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.926862 (E_RNA) where: Base-Base interactions energy: -209.011 where: short stacking energy: -98.856 Base-Backbone interact. energy: 0.274 local terms energy: -114.189781 where: bonds (distance) C4'-P energy: -20.208 bonds (distance) P-C4' energy: -22.492 flat angles C4'-P-C4' energy: -22.600 flat angles P-C4'-P energy: -18.406 tors. eta vs tors. theta energy: -30.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -241.277057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.277057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.277057 (E_RNA) where: Base-Base interactions energy: -155.316 where: short stacking energy: -65.033 Base-Backbone interact. energy: 3.306 local terms energy: -89.267160 where: bonds (distance) C4'-P energy: -22.825 bonds (distance) P-C4' energy: -22.147 flat angles C4'-P-C4' energy: -21.041 flat angles P-C4'-P energy: -11.816 tors. eta vs tors. theta energy: -11.439 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: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -238.875657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.875657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.875657 (E_RNA) where: Base-Base interactions energy: -142.754 where: short stacking energy: -73.005 Base-Backbone interact. energy: -0.366 local terms energy: -95.755581 where: bonds (distance) C4'-P energy: -19.208 bonds (distance) P-C4' energy: -19.726 flat angles C4'-P-C4' energy: -28.091 flat angles P-C4'-P energy: -15.206 tors. eta vs tors. theta energy: -13.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -188.495500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.495500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.495500 (E_RNA) where: Base-Base interactions energy: -107.681 where: short stacking energy: -61.537 Base-Backbone interact. energy: -0.431 local terms energy: -80.383044 where: bonds (distance) C4'-P energy: -18.323 bonds (distance) P-C4' energy: -23.792 flat angles C4'-P-C4' energy: -17.349 flat angles P-C4'-P energy: -11.632 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: 10, replica: 5 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -192.316027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.316027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.316027 (E_RNA) where: Base-Base interactions energy: -113.545 where: short stacking energy: -68.793 Base-Backbone interact. energy: -0.488 local terms energy: -78.283372 where: bonds (distance) C4'-P energy: -14.101 bonds (distance) P-C4' energy: -22.558 flat angles C4'-P-C4' energy: -22.760 flat angles P-C4'-P energy: -13.234 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -419.589166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.589166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.589166 (E_RNA) where: Base-Base interactions energy: -292.051 where: short stacking energy: -114.887 Base-Backbone interact. energy: -0.687 local terms energy: -126.850669 where: bonds (distance) C4'-P energy: -22.510 bonds (distance) P-C4' energy: -28.027 flat angles C4'-P-C4' energy: -29.699 flat angles P-C4'-P energy: -14.216 tors. eta vs tors. theta energy: -32.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -387.667126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.667126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.667126 (E_RNA) where: Base-Base interactions energy: -266.899 where: short stacking energy: -107.441 Base-Backbone interact. energy: -0.047 local terms energy: -120.720493 where: bonds (distance) C4'-P energy: -25.407 bonds (distance) P-C4' energy: -23.782 flat angles C4'-P-C4' energy: -25.830 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -35.041 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: 415 Temperature: 1.000000 Total energy: -369.458134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.458134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.458134 (E_RNA) where: Base-Base interactions energy: -261.872 where: short stacking energy: -104.155 Base-Backbone interact. energy: -0.533 local terms energy: -107.052641 where: bonds (distance) C4'-P energy: -19.223 bonds (distance) P-C4' energy: -20.838 flat angles C4'-P-C4' energy: -22.474 flat angles P-C4'-P energy: -13.898 tors. eta vs tors. theta energy: -30.619 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: 4, replica: 8 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -347.889133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.889133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.889133 (E_RNA) where: Base-Base interactions energy: -242.143 where: short stacking energy: -105.923 Base-Backbone interact. energy: -1.336 local terms energy: -104.410320 where: bonds (distance) C4'-P energy: -16.073 bonds (distance) P-C4' energy: -21.460 flat angles C4'-P-C4' energy: -22.330 flat angles P-C4'-P energy: -18.610 tors. eta vs tors. theta energy: -25.938 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: 415 Temperature: 1.100000 Total energy: -360.945116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.945116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.945116 (E_RNA) where: Base-Base interactions energy: -258.153 where: short stacking energy: -104.270 Base-Backbone interact. energy: -0.439 local terms energy: -102.352979 where: bonds (distance) C4'-P energy: -19.408 bonds (distance) P-C4' energy: -22.143 flat angles C4'-P-C4' energy: -21.061 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -27.818 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: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -329.657200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.657200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.657200 (E_RNA) where: Base-Base interactions energy: -233.638 where: short stacking energy: -112.254 Base-Backbone interact. energy: -0.789 local terms energy: -95.230516 where: bonds (distance) C4'-P energy: -19.520 bonds (distance) P-C4' energy: -16.935 flat angles C4'-P-C4' energy: -20.355 flat angles P-C4'-P energy: -13.369 tors. eta vs tors. theta energy: -25.051 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: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -236.518437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.518437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.518437 (E_RNA) where: Base-Base interactions energy: -158.126 where: short stacking energy: -66.527 Base-Backbone interact. energy: -0.488 local terms energy: -77.903811 where: bonds (distance) C4'-P energy: -21.855 bonds (distance) P-C4' energy: -18.950 flat angles C4'-P-C4' energy: -16.156 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -10.063 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: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -206.998002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.998002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.998002 (E_RNA) where: Base-Base interactions energy: -120.710 where: short stacking energy: -66.238 Base-Backbone interact. energy: 2.073 local terms energy: -88.360936 where: bonds (distance) C4'-P energy: -17.932 bonds (distance) P-C4' energy: -21.190 flat angles C4'-P-C4' energy: -19.840 flat angles P-C4'-P energy: -11.891 tors. eta vs tors. theta energy: -17.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -229.141986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.141986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.141986 (E_RNA) where: Base-Base interactions energy: -143.512 where: short stacking energy: -61.991 Base-Backbone interact. energy: -0.089 local terms energy: -85.541092 where: bonds (distance) C4'-P energy: -19.658 bonds (distance) P-C4' energy: -21.369 flat angles C4'-P-C4' energy: -17.426 flat angles P-C4'-P energy: -14.737 tors. eta vs tors. theta energy: -12.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -180.860535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.860535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.860535 (E_RNA) where: Base-Base interactions energy: -93.871 where: short stacking energy: -53.024 Base-Backbone interact. energy: 1.913 local terms energy: -88.903149 where: bonds (distance) C4'-P energy: -25.687 bonds (distance) P-C4' energy: -22.917 flat angles C4'-P-C4' energy: -18.259 flat angles P-C4'-P energy: -12.078 tors. eta vs tors. theta energy: -9.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -407.290590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.290590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.290590 (E_RNA) where: Base-Base interactions energy: -285.448 where: short stacking energy: -119.716 Base-Backbone interact. energy: -0.219 local terms energy: -121.623174 where: bonds (distance) C4'-P energy: -20.220 bonds (distance) P-C4' energy: -25.834 flat angles C4'-P-C4' energy: -28.226 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -37.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -405.664841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.664841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.664841 (E_RNA) where: Base-Base interactions energy: -283.681 where: short stacking energy: -121.808 Base-Backbone interact. energy: 0.093 local terms energy: -122.077240 where: bonds (distance) C4'-P energy: -25.597 bonds (distance) P-C4' energy: -20.544 flat angles C4'-P-C4' energy: -24.805 flat angles P-C4'-P energy: -13.091 tors. eta vs tors. theta energy: -38.041 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: 416 Temperature: 1.000000 Total energy: -386.633480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.633480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.633480 (E_RNA) where: Base-Base interactions energy: -266.317 where: short stacking energy: -117.476 Base-Backbone interact. energy: -0.117 local terms energy: -120.199084 where: bonds (distance) C4'-P energy: -24.754 bonds (distance) P-C4' energy: -23.202 flat angles C4'-P-C4' energy: -27.114 flat angles P-C4'-P energy: -14.219 tors. eta vs tors. theta energy: -30.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -356.391193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.391193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.391193 (E_RNA) where: Base-Base interactions energy: -240.629 where: short stacking energy: -97.775 Base-Backbone interact. energy: 0.253 local terms energy: -116.014360 where: bonds (distance) C4'-P energy: -18.068 bonds (distance) P-C4' energy: -26.155 flat angles C4'-P-C4' energy: -26.999 flat angles P-C4'-P energy: -22.236 tors. eta vs tors. theta energy: -22.557 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: 3 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -356.572943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.572943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.572943 (E_RNA) where: Base-Base interactions energy: -232.593 where: short stacking energy: -108.741 Base-Backbone interact. energy: -0.652 local terms energy: -123.327798 where: bonds (distance) C4'-P energy: -21.829 bonds (distance) P-C4' energy: -26.723 flat angles C4'-P-C4' energy: -23.733 flat angles P-C4'-P energy: -17.014 tors. eta vs tors. theta energy: -34.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -320.939315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.939315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.939315 (E_RNA) where: Base-Base interactions energy: -212.859 where: short stacking energy: -99.562 Base-Backbone interact. energy: -0.577 local terms energy: -107.502941 where: bonds (distance) C4'-P energy: -21.901 bonds (distance) P-C4' energy: -21.880 flat angles C4'-P-C4' energy: -19.509 flat angles P-C4'-P energy: -15.117 tors. eta vs tors. theta energy: -29.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -214.164454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.164454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.164454 (E_RNA) where: Base-Base interactions energy: -122.780 where: short stacking energy: -66.071 Base-Backbone interact. energy: -0.428 local terms energy: -90.956942 where: bonds (distance) C4'-P energy: -17.265 bonds (distance) P-C4' energy: -18.283 flat angles C4'-P-C4' energy: -26.004 flat angles P-C4'-P energy: -12.157 tors. eta vs tors. theta energy: -17.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -255.778297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.778297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.778297 (E_RNA) where: Base-Base interactions energy: -158.512 where: short stacking energy: -78.523 Base-Backbone interact. energy: -0.592 local terms energy: -96.674467 where: bonds (distance) C4'-P energy: -18.419 bonds (distance) P-C4' energy: -24.924 flat angles C4'-P-C4' energy: -16.037 flat angles P-C4'-P energy: -15.077 tors. eta vs tors. theta energy: -22.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -213.082212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.082212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.082212 (E_RNA) where: Base-Base interactions energy: -129.094 where: short stacking energy: -56.776 Base-Backbone interact. energy: -0.451 local terms energy: -83.537777 where: bonds (distance) C4'-P energy: -19.135 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -24.635 flat angles P-C4'-P energy: -13.905 tors. eta vs tors. theta energy: -11.110 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: 5 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -171.615042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.615042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.615042 (E_RNA) where: Base-Base interactions energy: -105.748 where: short stacking energy: -55.444 Base-Backbone interact. energy: -0.372 local terms energy: -65.495218 where: bonds (distance) C4'-P energy: -21.384 bonds (distance) P-C4' energy: -22.107 flat angles C4'-P-C4' energy: -19.674 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -405.196359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.196359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.196359 (E_RNA) where: Base-Base interactions energy: -272.759 where: short stacking energy: -127.554 Base-Backbone interact. energy: -0.988 local terms energy: -131.449310 where: bonds (distance) C4'-P energy: -23.949 bonds (distance) P-C4' energy: -27.091 flat angles C4'-P-C4' energy: -21.716 flat angles P-C4'-P energy: -21.338 tors. eta vs tors. theta energy: -37.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -401.213977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.213977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.213977 (E_RNA) where: Base-Base interactions energy: -282.976 where: short stacking energy: -122.177 Base-Backbone interact. energy: -0.597 local terms energy: -117.640819 where: bonds (distance) C4'-P energy: -15.365 bonds (distance) P-C4' energy: -24.566 flat angles C4'-P-C4' energy: -25.766 flat angles P-C4'-P energy: -15.121 tors. eta vs tors. theta energy: -36.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -391.289898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.289898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.289898 (E_RNA) where: Base-Base interactions energy: -266.866 where: short stacking energy: -114.657 Base-Backbone interact. energy: -0.131 local terms energy: -124.293014 where: bonds (distance) C4'-P energy: -22.746 bonds (distance) P-C4' energy: -26.934 flat angles C4'-P-C4' energy: -26.283 flat angles P-C4'-P energy: -15.929 tors. eta vs tors. theta energy: -32.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -360.573456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.573456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.573456 (E_RNA) where: Base-Base interactions energy: -239.278 where: short stacking energy: -120.340 Base-Backbone interact. energy: -0.600 local terms energy: -120.695535 where: bonds (distance) C4'-P energy: -24.436 bonds (distance) P-C4' energy: -26.849 flat angles C4'-P-C4' energy: -23.773 flat angles P-C4'-P energy: -16.091 tors. eta vs tors. theta energy: -29.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -350.434330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.434330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.434330 (E_RNA) where: Base-Base interactions energy: -238.639 where: short stacking energy: -93.473 Base-Backbone interact. energy: -0.144 local terms energy: -111.651034 where: bonds (distance) C4'-P energy: -23.051 bonds (distance) P-C4' energy: -27.289 flat angles C4'-P-C4' energy: -17.509 flat angles P-C4'-P energy: -17.354 tors. eta vs tors. theta energy: -26.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -323.842009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.842009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.842009 (E_RNA) where: Base-Base interactions energy: -211.523 where: short stacking energy: -97.282 Base-Backbone interact. energy: -0.344 local terms energy: -111.975360 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -25.698 flat angles C4'-P-C4' energy: -23.002 flat angles P-C4'-P energy: -16.417 tors. eta vs tors. theta energy: -31.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -211.203878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.203878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.203878 (E_RNA) where: Base-Base interactions energy: -115.844 where: short stacking energy: -58.171 Base-Backbone interact. energy: -0.677 local terms energy: -94.682494 where: bonds (distance) C4'-P energy: -20.338 bonds (distance) P-C4' energy: -25.871 flat angles C4'-P-C4' energy: -22.809 flat angles P-C4'-P energy: -11.827 tors. eta vs tors. theta energy: -13.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -242.496134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.496134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.496134 (E_RNA) where: Base-Base interactions energy: -152.140 where: short stacking energy: -71.526 Base-Backbone interact. energy: -0.061 local terms energy: -90.295294 where: bonds (distance) C4'-P energy: -18.878 bonds (distance) P-C4' energy: -23.547 flat angles C4'-P-C4' energy: -21.674 flat angles P-C4'-P energy: -15.604 tors. eta vs tors. theta energy: -10.591 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: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -229.175338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.175338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.175338 (E_RNA) where: Base-Base interactions energy: -146.190 where: short stacking energy: -65.076 Base-Backbone interact. energy: -1.377 local terms energy: -81.608307 where: bonds (distance) C4'-P energy: -22.582 bonds (distance) P-C4' energy: -21.452 flat angles C4'-P-C4' energy: -15.952 flat angles P-C4'-P energy: -13.268 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: 10, replica: 5 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -221.370726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.370726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.370726 (E_RNA) where: Base-Base interactions energy: -143.618 where: short stacking energy: -55.876 Base-Backbone interact. energy: 2.391 local terms energy: -80.143529 where: bonds (distance) C4'-P energy: -22.753 bonds (distance) P-C4' energy: -19.221 flat angles C4'-P-C4' energy: -22.502 flat angles P-C4'-P energy: -13.033 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -401.889607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.889607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.889607 (E_RNA) where: Base-Base interactions energy: -274.368 where: short stacking energy: -121.606 Base-Backbone interact. energy: -0.209 local terms energy: -127.312255 where: bonds (distance) C4'-P energy: -24.294 bonds (distance) P-C4' energy: -20.559 flat angles C4'-P-C4' energy: -24.564 flat angles P-C4'-P energy: -22.448 tors. eta vs tors. theta energy: -35.447 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: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -401.293930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.293930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.293930 (E_RNA) where: Base-Base interactions energy: -276.580 where: short stacking energy: -114.923 Base-Backbone interact. energy: -0.015 local terms energy: -124.699001 where: bonds (distance) C4'-P energy: -26.310 bonds (distance) P-C4' energy: -21.049 flat angles C4'-P-C4' energy: -28.859 flat angles P-C4'-P energy: -14.731 tors. eta vs tors. theta energy: -33.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -391.069215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.069215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.069215 (E_RNA) where: Base-Base interactions energy: -269.781 where: short stacking energy: -101.080 Base-Backbone interact. energy: -0.443 local terms energy: -120.845299 where: bonds (distance) C4'-P energy: -21.409 bonds (distance) P-C4' energy: -24.299 flat angles C4'-P-C4' energy: -28.010 flat angles P-C4'-P energy: -20.539 tors. eta vs tors. theta energy: -26.587 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: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -349.438477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.438477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.438477 (E_RNA) where: Base-Base interactions energy: -237.055 where: short stacking energy: -105.501 Base-Backbone interact. energy: -0.948 local terms energy: -111.434760 where: bonds (distance) C4'-P energy: -16.250 bonds (distance) P-C4' energy: -24.213 flat angles C4'-P-C4' energy: -23.219 flat angles P-C4'-P energy: -15.136 tors. eta vs tors. theta energy: -32.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -339.230220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.230220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.230220 (E_RNA) where: Base-Base interactions energy: -227.676 where: short stacking energy: -102.919 Base-Backbone interact. energy: 0.553 local terms energy: -112.107169 where: bonds (distance) C4'-P energy: -19.007 bonds (distance) P-C4' energy: -24.646 flat angles C4'-P-C4' energy: -22.595 flat angles P-C4'-P energy: -13.712 tors. eta vs tors. theta energy: -32.147 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: 8 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -346.267542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.267542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.267542 (E_RNA) where: Base-Base interactions energy: -240.935 where: short stacking energy: -89.799 Base-Backbone interact. energy: 0.071 local terms energy: -105.402948 where: bonds (distance) C4'-P energy: -22.257 bonds (distance) P-C4' energy: -21.107 flat angles C4'-P-C4' energy: -21.723 flat angles P-C4'-P energy: -14.955 tors. eta vs tors. theta energy: -25.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -221.833751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.833751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.833751 (E_RNA) where: Base-Base interactions energy: -145.127 where: short stacking energy: -79.781 Base-Backbone interact. energy: -0.170 local terms energy: -76.536956 where: bonds (distance) C4'-P energy: -18.712 bonds (distance) P-C4' energy: -17.272 flat angles C4'-P-C4' energy: -16.700 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -13.970 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: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -225.337213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.337213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.337213 (E_RNA) where: Base-Base interactions energy: -130.390 where: short stacking energy: -69.122 Base-Backbone interact. energy: -2.117 local terms energy: -92.829458 where: bonds (distance) C4'-P energy: -17.003 bonds (distance) P-C4' energy: -25.286 flat angles C4'-P-C4' energy: -18.677 flat angles P-C4'-P energy: -15.217 tors. eta vs tors. theta energy: -16.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -242.352741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.352741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.352741 (E_RNA) where: Base-Base interactions energy: -144.216 where: short stacking energy: -63.726 Base-Backbone interact. energy: -0.311 local terms energy: -97.825057 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -25.432 flat angles C4'-P-C4' energy: -19.111 flat angles P-C4'-P energy: -17.421 tors. eta vs tors. theta energy: -21.015 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: 5 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -178.868297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.868297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.868297 (E_RNA) where: Base-Base interactions energy: -114.515 where: short stacking energy: -43.027 Base-Backbone interact. energy: -0.459 local terms energy: -63.894261 where: bonds (distance) C4'-P energy: -19.712 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -17.243 flat angles P-C4'-P energy: -12.864 tors. eta vs tors. theta energy: 2.302 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: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -404.206975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.206975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.206975 (E_RNA) where: Base-Base interactions energy: -271.716 where: short stacking energy: -121.470 Base-Backbone interact. energy: -0.460 local terms energy: -132.031206 where: bonds (distance) C4'-P energy: -23.598 bonds (distance) P-C4' energy: -24.520 flat angles C4'-P-C4' energy: -28.256 flat angles P-C4'-P energy: -17.689 tors. eta vs tors. theta energy: -37.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -401.136872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.136872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.136872 (E_RNA) where: Base-Base interactions energy: -268.895 where: short stacking energy: -117.137 Base-Backbone interact. energy: -2.043 local terms energy: -130.199527 where: bonds (distance) C4'-P energy: -24.011 bonds (distance) P-C4' energy: -26.360 flat angles C4'-P-C4' energy: -26.868 flat angles P-C4'-P energy: -20.751 tors. eta vs tors. theta energy: -32.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -354.758449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.758449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.758449 (E_RNA) where: Base-Base interactions energy: -233.100 where: short stacking energy: -92.470 Base-Backbone interact. energy: 0.179 local terms energy: -121.837718 where: bonds (distance) C4'-P energy: -19.298 bonds (distance) P-C4' energy: -26.660 flat angles C4'-P-C4' energy: -26.934 flat angles P-C4'-P energy: -21.019 tors. eta vs tors. theta energy: -27.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -356.408405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.408405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.408405 (E_RNA) where: Base-Base interactions energy: -239.695 where: short stacking energy: -111.539 Base-Backbone interact. energy: -0.163 local terms energy: -116.550812 where: bonds (distance) C4'-P energy: -24.782 bonds (distance) P-C4' energy: -23.667 flat angles C4'-P-C4' energy: -22.849 flat angles P-C4'-P energy: -17.320 tors. eta vs tors. theta energy: -27.933 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: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -334.930687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.930687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.930687 (E_RNA) where: Base-Base interactions energy: -225.052 where: short stacking energy: -99.620 Base-Backbone interact. energy: -0.311 local terms energy: -109.567832 where: bonds (distance) C4'-P energy: -23.478 bonds (distance) P-C4' energy: -19.090 flat angles C4'-P-C4' energy: -25.186 flat angles P-C4'-P energy: -15.676 tors. eta vs tors. theta energy: -26.138 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: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -352.130498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.130498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.130498 (E_RNA) where: Base-Base interactions energy: -230.377 where: short stacking energy: -106.119 Base-Backbone interact. energy: -0.278 local terms energy: -121.475184 where: bonds (distance) C4'-P energy: -24.680 bonds (distance) P-C4' energy: -20.048 flat angles C4'-P-C4' energy: -26.354 flat angles P-C4'-P energy: -17.399 tors. eta vs tors. theta energy: -32.994 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: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -267.614485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.614485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.614485 (E_RNA) where: Base-Base interactions energy: -174.972 where: short stacking energy: -92.481 Base-Backbone interact. energy: -0.646 local terms energy: -91.996150 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -18.191 flat angles C4'-P-C4' energy: -24.110 flat angles P-C4'-P energy: -15.905 tors. eta vs tors. theta energy: -20.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -245.594464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.594464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.594464 (E_RNA) where: Base-Base interactions energy: -166.978 where: short stacking energy: -75.451 Base-Backbone interact. energy: -1.005 local terms energy: -77.610588 where: bonds (distance) C4'-P energy: -19.595 bonds (distance) P-C4' energy: -18.476 flat angles C4'-P-C4' energy: -17.600 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -18.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -193.200379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.200379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.200379 (E_RNA) where: Base-Base interactions energy: -114.587 where: short stacking energy: -66.454 Base-Backbone interact. energy: -1.986 local terms energy: -76.627685 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -16.071 flat angles C4'-P-C4' energy: -23.459 flat angles P-C4'-P energy: -16.536 tors. eta vs tors. theta energy: -9.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -168.873840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.873840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.873840 (E_RNA) where: Base-Base interactions energy: -100.314 where: short stacking energy: -52.918 Base-Backbone interact. energy: -0.423 local terms energy: -68.135985 where: bonds (distance) C4'-P energy: -20.556 bonds (distance) P-C4' energy: -7.426 flat angles C4'-P-C4' energy: -24.128 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -11.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -393.429243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.429243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.429243 (E_RNA) where: Base-Base interactions energy: -268.125 where: short stacking energy: -116.617 Base-Backbone interact. energy: -0.281 local terms energy: -125.022714 where: bonds (distance) C4'-P energy: -24.389 bonds (distance) P-C4' energy: -19.484 flat angles C4'-P-C4' energy: -27.399 flat angles P-C4'-P energy: -18.457 tors. eta vs tors. theta energy: -35.294 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: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -369.990820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.990820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.990820 (E_RNA) where: Base-Base interactions energy: -251.275 where: short stacking energy: -119.400 Base-Backbone interact. energy: -1.166 local terms energy: -117.549861 where: bonds (distance) C4'-P energy: -26.451 bonds (distance) P-C4' energy: -21.566 flat angles C4'-P-C4' energy: -24.426 flat angles P-C4'-P energy: -17.246 tors. eta vs tors. theta energy: -27.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -368.031855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.031855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.031855 (E_RNA) where: Base-Base interactions energy: -246.364 where: short stacking energy: -96.742 Base-Backbone interact. energy: -0.619 local terms energy: -121.049264 where: bonds (distance) C4'-P energy: -24.606 bonds (distance) P-C4' energy: -20.590 flat angles C4'-P-C4' energy: -26.367 flat angles P-C4'-P energy: -19.578 tors. eta vs tors. theta energy: -29.907 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: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -344.869060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.869060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.869060 (E_RNA) where: Base-Base interactions energy: -230.606 where: short stacking energy: -98.766 Base-Backbone interact. energy: 0.666 local terms energy: -114.928578 where: bonds (distance) C4'-P energy: -24.528 bonds (distance) P-C4' energy: -25.567 flat angles C4'-P-C4' energy: -25.477 flat angles P-C4'-P energy: -17.851 tors. eta vs tors. theta energy: -21.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -347.854863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.854863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.854863 (E_RNA) where: Base-Base interactions energy: -233.797 where: short stacking energy: -109.433 Base-Backbone interact. energy: -0.051 local terms energy: -114.007246 where: bonds (distance) C4'-P energy: -25.423 bonds (distance) P-C4' energy: -19.805 flat angles C4'-P-C4' energy: -24.488 flat angles P-C4'-P energy: -15.676 tors. eta vs tors. theta energy: -28.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -331.735648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.735648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.735648 (E_RNA) where: Base-Base interactions energy: -219.866 where: short stacking energy: -107.313 Base-Backbone interact. energy: -1.321 local terms energy: -110.548892 where: bonds (distance) C4'-P energy: -18.424 bonds (distance) P-C4' energy: -20.222 flat angles C4'-P-C4' energy: -26.060 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -34.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -246.331972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.331972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.331972 (E_RNA) where: Base-Base interactions energy: -153.317 where: short stacking energy: -71.724 Base-Backbone interact. energy: -0.347 local terms energy: -92.667658 where: bonds (distance) C4'-P energy: -22.103 bonds (distance) P-C4' energy: -27.129 flat angles C4'-P-C4' energy: -22.204 flat angles P-C4'-P energy: -9.368 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: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -239.761614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.761614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.761614 (E_RNA) where: Base-Base interactions energy: -153.418 where: short stacking energy: -68.814 Base-Backbone interact. energy: -0.865 local terms energy: -85.479308 where: bonds (distance) C4'-P energy: -22.010 bonds (distance) P-C4' energy: -21.906 flat angles C4'-P-C4' energy: -19.266 flat angles P-C4'-P energy: -13.762 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: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -197.805009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.805009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.805009 (E_RNA) where: Base-Base interactions energy: -108.661 where: short stacking energy: -57.972 Base-Backbone interact. energy: -0.313 local terms energy: -88.830832 where: bonds (distance) C4'-P energy: -20.683 bonds (distance) P-C4' energy: -24.048 flat angles C4'-P-C4' energy: -20.082 flat angles P-C4'-P energy: -14.601 tors. eta vs tors. theta energy: -9.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -194.419000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.419000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.419000 (E_RNA) where: Base-Base interactions energy: -108.465 where: short stacking energy: -70.877 Base-Backbone interact. energy: -0.209 local terms energy: -85.745429 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -24.769 flat angles C4'-P-C4' energy: -19.502 flat angles P-C4'-P energy: -19.538 tors. eta vs tors. theta energy: -9.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -400.627457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.627457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.627457 (E_RNA) where: Base-Base interactions energy: -269.325 where: short stacking energy: -125.759 Base-Backbone interact. energy: -0.002 local terms energy: -131.300440 where: bonds (distance) C4'-P energy: -28.236 bonds (distance) P-C4' energy: -25.637 flat angles C4'-P-C4' energy: -26.363 flat angles P-C4'-P energy: -14.659 tors. eta vs tors. theta energy: -36.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -381.529993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.529993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.529993 (E_RNA) where: Base-Base interactions energy: -266.761 where: short stacking energy: -101.517 Base-Backbone interact. energy: -0.149 local terms energy: -114.620062 where: bonds (distance) C4'-P energy: -26.936 bonds (distance) P-C4' energy: -21.587 flat angles C4'-P-C4' energy: -23.376 flat angles P-C4'-P energy: -16.774 tors. eta vs tors. theta energy: -25.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -354.294893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.294893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.294893 (E_RNA) where: Base-Base interactions energy: -241.174 where: short stacking energy: -102.977 Base-Backbone interact. energy: -0.183 local terms energy: -112.937277 where: bonds (distance) C4'-P energy: -25.274 bonds (distance) P-C4' energy: -26.356 flat angles C4'-P-C4' energy: -26.641 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -25.476 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: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -369.977528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.977528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.977528 (E_RNA) where: Base-Base interactions energy: -260.413 where: short stacking energy: -111.883 Base-Backbone interact. energy: -1.315 local terms energy: -108.250398 where: bonds (distance) C4'-P energy: -13.320 bonds (distance) P-C4' energy: -22.310 flat angles C4'-P-C4' energy: -20.471 flat angles P-C4'-P energy: -17.535 tors. eta vs tors. theta energy: -34.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -346.769987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.769987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.769987 (E_RNA) where: Base-Base interactions energy: -227.763 where: short stacking energy: -97.358 Base-Backbone interact. energy: -0.676 local terms energy: -118.331581 where: bonds (distance) C4'-P energy: -23.409 bonds (distance) P-C4' energy: -25.887 flat angles C4'-P-C4' energy: -22.898 flat angles P-C4'-P energy: -15.851 tors. eta vs tors. theta energy: -30.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -340.098934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.098934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.098934 (E_RNA) where: Base-Base interactions energy: -222.633 where: short stacking energy: -105.153 Base-Backbone interact. energy: -0.708 local terms energy: -116.758633 where: bonds (distance) C4'-P energy: -22.382 bonds (distance) P-C4' energy: -21.158 flat angles C4'-P-C4' energy: -23.944 flat angles P-C4'-P energy: -17.589 tors. eta vs tors. theta energy: -31.686 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: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -228.206922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.206922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.206922 (E_RNA) where: Base-Base interactions energy: -131.524 where: short stacking energy: -59.612 Base-Backbone interact. energy: -1.855 local terms energy: -94.827782 where: bonds (distance) C4'-P energy: -25.250 bonds (distance) P-C4' energy: -26.156 flat angles C4'-P-C4' energy: -18.877 flat angles P-C4'-P energy: -14.123 tors. eta vs tors. theta energy: -10.421 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: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -236.743533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.743533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.743533 (E_RNA) where: Base-Base interactions energy: -150.061 where: short stacking energy: -60.426 Base-Backbone interact. energy: -1.109 local terms energy: -85.573496 where: bonds (distance) C4'-P energy: -23.446 bonds (distance) P-C4' energy: -18.304 flat angles C4'-P-C4' energy: -24.572 flat angles P-C4'-P energy: -13.083 tors. eta vs tors. theta energy: -6.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -240.583882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.583882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.583882 (E_RNA) where: Base-Base interactions energy: -173.098 where: short stacking energy: -67.294 Base-Backbone interact. energy: -0.300 local terms energy: -67.185854 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -16.545 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -17.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -183.762445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.762445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.762445 (E_RNA) where: Base-Base interactions energy: -96.048 where: short stacking energy: -45.814 Base-Backbone interact. energy: -0.167 local terms energy: -87.547184 where: bonds (distance) C4'-P energy: -27.167 bonds (distance) P-C4' energy: -23.643 flat angles C4'-P-C4' energy: -23.265 flat angles P-C4'-P energy: -12.608 tors. eta vs tors. theta energy: -0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -394.391777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.391777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.391777 (E_RNA) where: Base-Base interactions energy: -275.661 where: short stacking energy: -120.526 Base-Backbone interact. energy: -0.057 local terms energy: -118.674390 where: bonds (distance) C4'-P energy: -23.570 bonds (distance) P-C4' energy: -26.146 flat angles C4'-P-C4' energy: -23.341 flat angles P-C4'-P energy: -19.259 tors. eta vs tors. theta energy: -26.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -398.449368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.449368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.449368 (E_RNA) where: Base-Base interactions energy: -277.681 where: short stacking energy: -117.928 Base-Backbone interact. energy: 0.394 local terms energy: -121.162406 where: bonds (distance) C4'-P energy: -17.174 bonds (distance) P-C4' energy: -23.267 flat angles C4'-P-C4' energy: -27.082 flat angles P-C4'-P energy: -19.159 tors. eta vs tors. theta energy: -34.480 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: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -396.418256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.418256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.418256 (E_RNA) where: Base-Base interactions energy: -273.650 where: short stacking energy: -126.986 Base-Backbone interact. energy: 0.035 local terms energy: -122.803329 where: bonds (distance) C4'-P energy: -27.291 bonds (distance) P-C4' energy: -22.794 flat angles C4'-P-C4' energy: -22.082 flat angles P-C4'-P energy: -15.789 tors. eta vs tors. theta energy: -34.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -349.496344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.496344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.496344 (E_RNA) where: Base-Base interactions energy: -233.959 where: short stacking energy: -101.408 Base-Backbone interact. energy: -0.222 local terms energy: -115.315483 where: bonds (distance) C4'-P energy: -24.294 bonds (distance) P-C4' energy: -24.410 flat angles C4'-P-C4' energy: -24.606 flat angles P-C4'-P energy: -15.109 tors. eta vs tors. theta energy: -26.897 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: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -348.652517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.652517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.652517 (E_RNA) where: Base-Base interactions energy: -233.586 where: short stacking energy: -104.461 Base-Backbone interact. energy: -2.118 local terms energy: -112.947918 where: bonds (distance) C4'-P energy: -21.699 bonds (distance) P-C4' energy: -19.442 flat angles C4'-P-C4' energy: -22.850 flat angles P-C4'-P energy: -16.839 tors. eta vs tors. theta energy: -32.118 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: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -348.172686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.172686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.172686 (E_RNA) where: Base-Base interactions energy: -229.890 where: short stacking energy: -115.987 Base-Backbone interact. energy: -1.096 local terms energy: -117.186414 where: bonds (distance) C4'-P energy: -20.351 bonds (distance) P-C4' energy: -22.027 flat angles C4'-P-C4' energy: -25.564 flat angles P-C4'-P energy: -15.096 tors. eta vs tors. theta energy: -34.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -245.203424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.203424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.203424 (E_RNA) where: Base-Base interactions energy: -147.292 where: short stacking energy: -70.182 Base-Backbone interact. energy: -0.056 local terms energy: -97.855396 where: bonds (distance) C4'-P energy: -23.221 bonds (distance) P-C4' energy: -22.122 flat angles C4'-P-C4' energy: -24.602 flat angles P-C4'-P energy: -15.835 tors. eta vs tors. theta energy: -12.076 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: 422 Temperature: 1.250000 Total energy: -212.466624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.466624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.466624 (E_RNA) where: Base-Base interactions energy: -121.140 where: short stacking energy: -74.188 Base-Backbone interact. energy: -0.012 local terms energy: -91.314548 where: bonds (distance) C4'-P energy: -22.434 bonds (distance) P-C4' energy: -23.994 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -12.383 tors. eta vs tors. theta energy: -17.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -221.814363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.814363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.814363 (E_RNA) where: Base-Base interactions energy: -122.743 where: short stacking energy: -60.831 Base-Backbone interact. energy: -0.943 local terms energy: -98.127991 where: bonds (distance) C4'-P energy: -23.419 bonds (distance) P-C4' energy: -22.887 flat angles C4'-P-C4' energy: -19.145 flat angles P-C4'-P energy: -18.645 tors. eta vs tors. theta energy: -14.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -170.298194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.298194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.298194 (E_RNA) where: Base-Base interactions energy: -88.943 where: short stacking energy: -53.760 Base-Backbone interact. energy: -0.283 local terms energy: -81.072101 where: bonds (distance) C4'-P energy: -15.632 bonds (distance) P-C4' energy: -20.632 flat angles C4'-P-C4' energy: -20.747 flat angles P-C4'-P energy: -15.291 tors. eta vs tors. theta energy: -8.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -380.231621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.231621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.231621 (E_RNA) where: Base-Base interactions energy: -252.125 where: short stacking energy: -115.473 Base-Backbone interact. energy: -0.331 local terms energy: -127.776038 where: bonds (distance) C4'-P energy: -27.965 bonds (distance) P-C4' energy: -24.684 flat angles C4'-P-C4' energy: -24.025 flat angles P-C4'-P energy: -17.550 tors. eta vs tors. theta energy: -33.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -395.060604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.060604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.060604 (E_RNA) where: Base-Base interactions energy: -274.380 where: short stacking energy: -124.224 Base-Backbone interact. energy: -0.223 local terms energy: -120.457295 where: bonds (distance) C4'-P energy: -20.795 bonds (distance) P-C4' energy: -18.840 flat angles C4'-P-C4' energy: -25.652 flat angles P-C4'-P energy: -19.416 tors. eta vs tors. theta energy: -35.754 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: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -396.816917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.816917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.816917 (E_RNA) where: Base-Base interactions energy: -268.146 where: short stacking energy: -119.562 Base-Backbone interact. energy: -2.842 local terms energy: -125.829520 where: bonds (distance) C4'-P energy: -21.352 bonds (distance) P-C4' energy: -22.992 flat angles C4'-P-C4' energy: -26.137 flat angles P-C4'-P energy: -22.303 tors. eta vs tors. theta energy: -33.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -356.182134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.182134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.182134 (E_RNA) where: Base-Base interactions energy: -249.480 where: short stacking energy: -111.336 Base-Backbone interact. energy: -0.098 local terms energy: -106.603861 where: bonds (distance) C4'-P energy: -17.813 bonds (distance) P-C4' energy: -20.524 flat angles C4'-P-C4' energy: -19.837 flat angles P-C4'-P energy: -15.558 tors. eta vs tors. theta energy: -32.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -364.901307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.901307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.901307 (E_RNA) where: Base-Base interactions energy: -244.789 where: short stacking energy: -110.641 Base-Backbone interact. energy: -1.496 local terms energy: -118.615761 where: bonds (distance) C4'-P energy: -19.484 bonds (distance) P-C4' energy: -23.982 flat angles C4'-P-C4' energy: -26.662 flat angles P-C4'-P energy: -14.478 tors. eta vs tors. theta energy: -34.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -323.859031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.859031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.859031 (E_RNA) where: Base-Base interactions energy: -212.869 where: short stacking energy: -96.904 Base-Backbone interact. energy: -0.617 local terms energy: -110.372757 where: bonds (distance) C4'-P energy: -20.913 bonds (distance) P-C4' energy: -21.907 flat angles C4'-P-C4' energy: -21.993 flat angles P-C4'-P energy: -18.002 tors. eta vs tors. theta energy: -27.558 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: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -246.754722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.754722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.754722 (E_RNA) where: Base-Base interactions energy: -160.613 where: short stacking energy: -83.538 Base-Backbone interact. energy: -0.092 local terms energy: -86.050058 where: bonds (distance) C4'-P energy: -19.950 bonds (distance) P-C4' energy: -20.800 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -16.820 tors. eta vs tors. theta energy: -18.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -200.276233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.276233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.276233 (E_RNA) where: Base-Base interactions energy: -121.568 where: short stacking energy: -51.633 Base-Backbone interact. energy: -0.277 local terms energy: -78.430670 where: bonds (distance) C4'-P energy: -20.179 bonds (distance) P-C4' energy: -25.151 flat angles C4'-P-C4' energy: -18.122 flat angles P-C4'-P energy: -16.241 tors. eta vs tors. theta energy: 1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -179.660161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.660161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.660161 (E_RNA) where: Base-Base interactions energy: -110.358 where: short stacking energy: -55.536 Base-Backbone interact. energy: -0.580 local terms energy: -68.722864 where: bonds (distance) C4'-P energy: -14.011 bonds (distance) P-C4' energy: -14.619 flat angles C4'-P-C4' energy: -21.131 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -9.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -190.435158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.435158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.435158 (E_RNA) where: Base-Base interactions energy: -103.510 where: short stacking energy: -53.221 Base-Backbone interact. energy: -0.063 local terms energy: -86.861800 where: bonds (distance) C4'-P energy: -23.503 bonds (distance) P-C4' energy: -21.765 flat angles C4'-P-C4' energy: -19.355 flat angles P-C4'-P energy: -13.895 tors. eta vs tors. theta energy: -8.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -407.615876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.615876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.615876 (E_RNA) where: Base-Base interactions energy: -279.259 where: short stacking energy: -122.120 Base-Backbone interact. energy: -0.805 local terms energy: -127.552466 where: bonds (distance) C4'-P energy: -23.308 bonds (distance) P-C4' energy: -26.850 flat angles C4'-P-C4' energy: -26.958 flat angles P-C4'-P energy: -19.445 tors. eta vs tors. theta energy: -30.991 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: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -399.307952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.307952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.307952 (E_RNA) where: Base-Base interactions energy: -283.535 where: short stacking energy: -112.581 Base-Backbone interact. energy: -0.537 local terms energy: -115.235330 where: bonds (distance) C4'-P energy: -21.818 bonds (distance) P-C4' energy: -21.816 flat angles C4'-P-C4' energy: -25.091 flat angles P-C4'-P energy: -13.320 tors. eta vs tors. theta energy: -33.191 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: 424 Temperature: 1.000000 Total energy: -390.416537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.416537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.416537 (E_RNA) where: Base-Base interactions energy: -257.648 where: short stacking energy: -111.183 Base-Backbone interact. energy: -0.151 local terms energy: -132.617640 where: bonds (distance) C4'-P energy: -26.655 bonds (distance) P-C4' energy: -26.478 flat angles C4'-P-C4' energy: -25.677 flat angles P-C4'-P energy: -20.573 tors. eta vs tors. theta energy: -33.235 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: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -360.219528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.219528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.219528 (E_RNA) where: Base-Base interactions energy: -234.427 where: short stacking energy: -110.515 Base-Backbone interact. energy: -0.126 local terms energy: -125.666451 where: bonds (distance) C4'-P energy: -25.056 bonds (distance) P-C4' energy: -22.200 flat angles C4'-P-C4' energy: -25.779 flat angles P-C4'-P energy: -18.729 tors. eta vs tors. theta energy: -33.902 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: 4 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -345.690041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.690041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.690041 (E_RNA) where: Base-Base interactions energy: -223.787 where: short stacking energy: -103.461 Base-Backbone interact. energy: -1.414 local terms energy: -120.489030 where: bonds (distance) C4'-P energy: -19.881 bonds (distance) P-C4' energy: -22.384 flat angles C4'-P-C4' energy: -27.755 flat angles P-C4'-P energy: -18.257 tors. eta vs tors. theta energy: -32.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -339.683294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.683294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.683294 (E_RNA) where: Base-Base interactions energy: -227.439 where: short stacking energy: -99.383 Base-Backbone interact. energy: -0.851 local terms energy: -111.392870 where: bonds (distance) C4'-P energy: -20.712 bonds (distance) P-C4' energy: -24.558 flat angles C4'-P-C4' energy: -21.287 flat angles P-C4'-P energy: -17.134 tors. eta vs tors. theta energy: -27.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -194.799544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.799544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.799544 (E_RNA) where: Base-Base interactions energy: -113.308 where: short stacking energy: -60.596 Base-Backbone interact. energy: -0.274 local terms energy: -81.217697 where: bonds (distance) C4'-P energy: -17.949 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -21.997 flat angles P-C4'-P energy: -16.084 tors. eta vs tors. theta energy: -8.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -223.462816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.462816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.462816 (E_RNA) where: Base-Base interactions energy: -146.309 where: short stacking energy: -68.197 Base-Backbone interact. energy: -0.586 local terms energy: -76.567666 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -21.525 flat angles C4'-P-C4' energy: -19.018 flat angles P-C4'-P energy: -10.229 tors. eta vs tors. theta energy: -9.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -208.240522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.240522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.240522 (E_RNA) where: Base-Base interactions energy: -118.612 where: short stacking energy: -48.982 Base-Backbone interact. energy: 0.630 local terms energy: -90.257986 where: bonds (distance) C4'-P energy: -21.316 bonds (distance) P-C4' energy: -26.120 flat angles C4'-P-C4' energy: -17.712 flat angles P-C4'-P energy: -19.365 tors. eta vs tors. theta energy: -5.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -194.103711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.103711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.103711 (E_RNA) where: Base-Base interactions energy: -122.189 where: short stacking energy: -54.754 Base-Backbone interact. energy: -0.747 local terms energy: -71.167548 where: bonds (distance) C4'-P energy: -20.987 bonds (distance) P-C4' energy: -18.890 flat angles C4'-P-C4' energy: -16.291 flat angles P-C4'-P energy: -12.090 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -399.690721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.690721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.690721 (E_RNA) where: Base-Base interactions energy: -285.112 where: short stacking energy: -118.946 Base-Backbone interact. energy: 0.743 local terms energy: -115.321538 where: bonds (distance) C4'-P energy: -24.368 bonds (distance) P-C4' energy: -20.718 flat angles C4'-P-C4' energy: -26.049 flat angles P-C4'-P energy: -14.931 tors. eta vs tors. theta energy: -29.255 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: 3 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -421.298748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.298748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.298748 (E_RNA) where: Base-Base interactions energy: -296.509 where: short stacking energy: -126.399 Base-Backbone interact. energy: -0.441 local terms energy: -124.348960 where: bonds (distance) C4'-P energy: -26.579 bonds (distance) P-C4' energy: -25.769 flat angles C4'-P-C4' energy: -21.421 flat angles P-C4'-P energy: -11.606 tors. eta vs tors. theta energy: -38.975 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: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -384.748198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.748198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.748198 (E_RNA) where: Base-Base interactions energy: -265.533 where: short stacking energy: -111.426 Base-Backbone interact. energy: -2.546 local terms energy: -116.669638 where: bonds (distance) C4'-P energy: -21.796 bonds (distance) P-C4' energy: -24.026 flat angles C4'-P-C4' energy: -22.408 flat angles P-C4'-P energy: -17.650 tors. eta vs tors. theta energy: -30.790 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: 425 Temperature: 1.050000 Total energy: -347.590325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.590325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.590325 (E_RNA) where: Base-Base interactions energy: -230.197 where: short stacking energy: -113.855 Base-Backbone interact. energy: -0.663 local terms energy: -116.730345 where: bonds (distance) C4'-P energy: -15.763 bonds (distance) P-C4' energy: -23.247 flat angles C4'-P-C4' energy: -25.819 flat angles P-C4'-P energy: -20.704 tors. eta vs tors. theta energy: -31.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -363.197869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.197869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.197869 (E_RNA) where: Base-Base interactions energy: -243.093 where: short stacking energy: -118.113 Base-Backbone interact. energy: -0.003 local terms energy: -120.102319 where: bonds (distance) C4'-P energy: -22.903 bonds (distance) P-C4' energy: -19.769 flat angles C4'-P-C4' energy: -25.719 flat angles P-C4'-P energy: -18.152 tors. eta vs tors. theta energy: -33.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -328.436749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.436749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.436749 (E_RNA) where: Base-Base interactions energy: -215.718 where: short stacking energy: -91.809 Base-Backbone interact. energy: -0.742 local terms energy: -111.976574 where: bonds (distance) C4'-P energy: -23.094 bonds (distance) P-C4' energy: -24.488 flat angles C4'-P-C4' energy: -22.381 flat angles P-C4'-P energy: -15.625 tors. eta vs tors. theta energy: -26.389 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: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -216.723469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.723469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.723469 (E_RNA) where: Base-Base interactions energy: -113.451 where: short stacking energy: -50.209 Base-Backbone interact. energy: -0.438 local terms energy: -102.834080 where: bonds (distance) C4'-P energy: -22.419 bonds (distance) P-C4' energy: -28.144 flat angles C4'-P-C4' energy: -24.214 flat angles P-C4'-P energy: -14.578 tors. eta vs tors. theta energy: -13.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -247.945110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.945110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.945110 (E_RNA) where: Base-Base interactions energy: -160.080 where: short stacking energy: -67.218 Base-Backbone interact. energy: 1.305 local terms energy: -89.169861 where: bonds (distance) C4'-P energy: -19.014 bonds (distance) P-C4' energy: -26.374 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -14.268 tors. eta vs tors. theta energy: -15.046 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: 425 Temperature: 1.300000 Total energy: -188.396874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.396874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.396874 (E_RNA) where: Base-Base interactions energy: -109.210 where: short stacking energy: -56.572 Base-Backbone interact. energy: 0.430 local terms energy: -79.616250 where: bonds (distance) C4'-P energy: -17.692 bonds (distance) P-C4' energy: -21.612 flat angles C4'-P-C4' energy: -24.182 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -7.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -207.831918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.831918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.831918 (E_RNA) where: Base-Base interactions energy: -129.166 where: short stacking energy: -60.914 Base-Backbone interact. energy: -0.936 local terms energy: -77.729420 where: bonds (distance) C4'-P energy: -15.440 bonds (distance) P-C4' energy: -20.104 flat angles C4'-P-C4' energy: -15.739 flat angles P-C4'-P energy: -13.867 tors. eta vs tors. theta energy: -12.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -409.551552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.551552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.551552 (E_RNA) where: Base-Base interactions energy: -290.267 where: short stacking energy: -118.094 Base-Backbone interact. energy: -0.116 local terms energy: -119.168743 where: bonds (distance) C4'-P energy: -17.864 bonds (distance) P-C4' energy: -25.681 flat angles C4'-P-C4' energy: -29.221 flat angles P-C4'-P energy: -16.325 tors. eta vs tors. theta energy: -30.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -394.064589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.064589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.064589 (E_RNA) where: Base-Base interactions energy: -261.973 where: short stacking energy: -126.693 Base-Backbone interact. energy: -0.519 local terms energy: -131.573018 where: bonds (distance) C4'-P energy: -22.212 bonds (distance) P-C4' energy: -22.489 flat angles C4'-P-C4' energy: -28.788 flat angles P-C4'-P energy: -19.433 tors. eta vs tors. theta energy: -38.651 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: 4 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -358.717618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.717618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.717618 (E_RNA) where: Base-Base interactions energy: -234.866 where: short stacking energy: -110.531 Base-Backbone interact. energy: -1.184 local terms energy: -122.668049 where: bonds (distance) C4'-P energy: -25.557 bonds (distance) P-C4' energy: -21.562 flat angles C4'-P-C4' energy: -25.939 flat angles P-C4'-P energy: -18.398 tors. eta vs tors. theta energy: -31.212 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: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -373.979676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.979676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.979676 (E_RNA) where: Base-Base interactions energy: -251.039 where: short stacking energy: -109.375 Base-Backbone interact. energy: -0.029 local terms energy: -122.911419 where: bonds (distance) C4'-P energy: -26.348 bonds (distance) P-C4' energy: -20.462 flat angles C4'-P-C4' energy: -24.928 flat angles P-C4'-P energy: -16.694 tors. eta vs tors. theta energy: -34.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -360.505352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.505352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.505352 (E_RNA) where: Base-Base interactions energy: -239.288 where: short stacking energy: -102.702 Base-Backbone interact. energy: -1.348 local terms energy: -119.869364 where: bonds (distance) C4'-P energy: -20.656 bonds (distance) P-C4' energy: -21.310 flat angles C4'-P-C4' energy: -25.846 flat angles P-C4'-P energy: -20.025 tors. eta vs tors. theta energy: -32.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -349.127248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.127248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.127248 (E_RNA) where: Base-Base interactions energy: -256.219 where: short stacking energy: -109.062 Base-Backbone interact. energy: -0.577 local terms energy: -92.332193 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -24.021 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -31.277 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: 426 Temperature: 1.200000 Total energy: -254.793385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.793385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.793385 (E_RNA) where: Base-Base interactions energy: -159.209 where: short stacking energy: -76.056 Base-Backbone interact. energy: -0.695 local terms energy: -94.889740 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -20.638 flat angles C4'-P-C4' energy: -23.663 flat angles P-C4'-P energy: -13.853 tors. eta vs tors. theta energy: -22.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -195.829184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.829184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.829184 (E_RNA) where: Base-Base interactions energy: -104.058 where: short stacking energy: -58.845 Base-Backbone interact. energy: -0.352 local terms energy: -91.419272 where: bonds (distance) C4'-P energy: -18.540 bonds (distance) P-C4' energy: -24.941 flat angles C4'-P-C4' energy: -17.314 flat angles P-C4'-P energy: -19.442 tors. eta vs tors. theta energy: -11.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -185.956507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.956507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.956507 (E_RNA) where: Base-Base interactions energy: -112.518 where: short stacking energy: -63.568 Base-Backbone interact. energy: -0.199 local terms energy: -73.240163 where: bonds (distance) C4'-P energy: -20.146 bonds (distance) P-C4' energy: -17.858 flat angles C4'-P-C4' energy: -19.465 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -7.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -184.090097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.090097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.090097 (E_RNA) where: Base-Base interactions energy: -96.447 where: short stacking energy: -54.308 Base-Backbone interact. energy: -0.317 local terms energy: -87.326230 where: bonds (distance) C4'-P energy: -24.217 bonds (distance) P-C4' energy: -20.194 flat angles C4'-P-C4' energy: -19.077 flat angles P-C4'-P energy: -17.460 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -399.638186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.638186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.638186 (E_RNA) where: Base-Base interactions energy: -277.322 where: short stacking energy: -115.053 Base-Backbone interact. energy: -0.094 local terms energy: -122.221475 where: bonds (distance) C4'-P energy: -23.901 bonds (distance) P-C4' energy: -24.634 flat angles C4'-P-C4' energy: -26.598 flat angles P-C4'-P energy: -18.118 tors. eta vs tors. theta energy: -28.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -395.122171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.122171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.122171 (E_RNA) where: Base-Base interactions energy: -273.615 where: short stacking energy: -118.278 Base-Backbone interact. energy: -1.790 local terms energy: -119.717219 where: bonds (distance) C4'-P energy: -21.086 bonds (distance) P-C4' energy: -24.109 flat angles C4'-P-C4' energy: -20.757 flat angles P-C4'-P energy: -17.940 tors. eta vs tors. theta energy: -35.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -348.373555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.373555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.373555 (E_RNA) where: Base-Base interactions energy: -230.733 where: short stacking energy: -110.237 Base-Backbone interact. energy: -0.384 local terms energy: -117.256660 where: bonds (distance) C4'-P energy: -21.505 bonds (distance) P-C4' energy: -18.846 flat angles C4'-P-C4' energy: -28.376 flat angles P-C4'-P energy: -12.828 tors. eta vs tors. theta energy: -35.703 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: 4, replica: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -371.710515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.710515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.710515 (E_RNA) where: Base-Base interactions energy: -255.346 where: short stacking energy: -109.122 Base-Backbone interact. energy: -0.217 local terms energy: -116.147095 where: bonds (distance) C4'-P energy: -19.139 bonds (distance) P-C4' energy: -25.891 flat angles C4'-P-C4' energy: -22.675 flat angles P-C4'-P energy: -12.875 tors. eta vs tors. theta energy: -35.567 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: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -367.860350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.860350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.860350 (E_RNA) where: Base-Base interactions energy: -249.829 where: short stacking energy: -107.014 Base-Backbone interact. energy: -0.045 local terms energy: -117.986895 where: bonds (distance) C4'-P energy: -22.362 bonds (distance) P-C4' energy: -21.303 flat angles C4'-P-C4' energy: -23.422 flat angles P-C4'-P energy: -19.784 tors. eta vs tors. theta energy: -31.116 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: 427 Temperature: 1.150000 Total energy: -336.373895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.373895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.373895 (E_RNA) where: Base-Base interactions energy: -235.065 where: short stacking energy: -94.894 Base-Backbone interact. energy: -0.768 local terms energy: -100.540809 where: bonds (distance) C4'-P energy: -22.167 bonds (distance) P-C4' energy: -17.760 flat angles C4'-P-C4' energy: -22.421 flat angles P-C4'-P energy: -13.873 tors. eta vs tors. theta energy: -24.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -260.153501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.153501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.153501 (E_RNA) where: Base-Base interactions energy: -165.167 where: short stacking energy: -79.841 Base-Backbone interact. energy: -1.227 local terms energy: -93.759761 where: bonds (distance) C4'-P energy: -22.932 bonds (distance) P-C4' energy: -27.397 flat angles C4'-P-C4' energy: -19.698 flat angles P-C4'-P energy: -11.563 tors. eta vs tors. theta energy: -12.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -225.385547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.385547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.385547 (E_RNA) where: Base-Base interactions energy: -141.973 where: short stacking energy: -74.265 Base-Backbone interact. energy: -0.269 local terms energy: -83.144105 where: bonds (distance) C4'-P energy: -18.441 bonds (distance) P-C4' energy: -18.985 flat angles C4'-P-C4' energy: -23.143 flat angles P-C4'-P energy: -14.423 tors. eta vs tors. theta energy: -8.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -189.891283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.891283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.891283 (E_RNA) where: Base-Base interactions energy: -97.111 where: short stacking energy: -55.203 Base-Backbone interact. energy: 1.029 local terms energy: -93.809633 where: bonds (distance) C4'-P energy: -21.876 bonds (distance) P-C4' energy: -23.041 flat angles C4'-P-C4' energy: -20.619 flat angles P-C4'-P energy: -17.277 tors. eta vs tors. theta energy: -10.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -183.771138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.771138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.771138 (E_RNA) where: Base-Base interactions energy: -101.596 where: short stacking energy: -50.405 Base-Backbone interact. energy: 1.311 local terms energy: -83.486412 where: bonds (distance) C4'-P energy: -18.626 bonds (distance) P-C4' energy: -25.210 flat angles C4'-P-C4' energy: -22.309 flat angles P-C4'-P energy: -11.546 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -395.813473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.813473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.813473 (E_RNA) where: Base-Base interactions energy: -275.360 where: short stacking energy: -115.613 Base-Backbone interact. energy: -1.940 local terms energy: -118.513245 where: bonds (distance) C4'-P energy: -25.528 bonds (distance) P-C4' energy: -17.522 flat angles C4'-P-C4' energy: -23.729 flat angles P-C4'-P energy: -19.222 tors. eta vs tors. theta energy: -32.512 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: 2, replica: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -392.872243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.872243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.872243 (E_RNA) where: Base-Base interactions energy: -273.817 where: short stacking energy: -115.074 Base-Backbone interact. energy: -0.431 local terms energy: -118.624191 where: bonds (distance) C4'-P energy: -23.239 bonds (distance) P-C4' energy: -22.031 flat angles C4'-P-C4' energy: -22.576 flat angles P-C4'-P energy: -17.056 tors. eta vs tors. theta energy: -33.723 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: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -387.021480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.021480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.021480 (E_RNA) where: Base-Base interactions energy: -274.430 where: short stacking energy: -126.873 Base-Backbone interact. energy: -0.058 local terms energy: -112.533280 where: bonds (distance) C4'-P energy: -21.161 bonds (distance) P-C4' energy: -18.883 flat angles C4'-P-C4' energy: -21.480 flat angles P-C4'-P energy: -14.355 tors. eta vs tors. theta energy: -36.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -352.841459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.841459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.841459 (E_RNA) where: Base-Base interactions energy: -229.652 where: short stacking energy: -117.279 Base-Backbone interact. energy: -0.781 local terms energy: -122.409111 where: bonds (distance) C4'-P energy: -19.546 bonds (distance) P-C4' energy: -22.315 flat angles C4'-P-C4' energy: -28.801 flat angles P-C4'-P energy: -20.634 tors. eta vs tors. theta energy: -31.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -356.631458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.631458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.631458 (E_RNA) where: Base-Base interactions energy: -247.912 where: short stacking energy: -109.475 Base-Backbone interact. energy: -0.275 local terms energy: -108.444303 where: bonds (distance) C4'-P energy: -20.739 bonds (distance) P-C4' energy: -29.624 flat angles C4'-P-C4' energy: -24.158 flat angles P-C4'-P energy: -6.194 tors. eta vs tors. theta energy: -27.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -334.490024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.490024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.490024 (E_RNA) where: Base-Base interactions energy: -230.934 where: short stacking energy: -90.785 Base-Backbone interact. energy: -1.856 local terms energy: -101.700699 where: bonds (distance) C4'-P energy: -21.699 bonds (distance) P-C4' energy: -19.632 flat angles C4'-P-C4' energy: -16.648 flat angles P-C4'-P energy: -20.155 tors. eta vs tors. theta energy: -23.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -243.029023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.029023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.029023 (E_RNA) where: Base-Base interactions energy: -145.064 where: short stacking energy: -68.588 Base-Backbone interact. energy: -0.972 local terms energy: -96.993351 where: bonds (distance) C4'-P energy: -20.510 bonds (distance) P-C4' energy: -21.271 flat angles C4'-P-C4' energy: -25.564 flat angles P-C4'-P energy: -14.139 tors. eta vs tors. theta energy: -15.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -196.039364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.039364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.039364 (E_RNA) where: Base-Base interactions energy: -112.344 where: short stacking energy: -62.309 Base-Backbone interact. energy: -0.182 local terms energy: -83.512616 where: bonds (distance) C4'-P energy: -16.289 bonds (distance) P-C4' energy: -22.226 flat angles C4'-P-C4' energy: -20.860 flat angles P-C4'-P energy: -15.719 tors. eta vs tors. theta energy: -8.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -172.841274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.841274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.841274 (E_RNA) where: Base-Base interactions energy: -105.034 where: short stacking energy: -41.205 Base-Backbone interact. energy: 0.649 local terms energy: -68.456072 where: bonds (distance) C4'-P energy: -22.267 bonds (distance) P-C4' energy: -18.173 flat angles C4'-P-C4' energy: -18.803 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -0.624 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: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -179.627650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.627650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.627650 (E_RNA) where: Base-Base interactions energy: -103.998 where: short stacking energy: -63.000 Base-Backbone interact. energy: -0.400 local terms energy: -75.229749 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -24.681 flat angles C4'-P-C4' energy: -19.652 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -8.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -397.052114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.052114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.052114 (E_RNA) where: Base-Base interactions energy: -277.014 where: short stacking energy: -115.543 Base-Backbone interact. energy: -0.768 local terms energy: -119.269727 where: bonds (distance) C4'-P energy: -23.763 bonds (distance) P-C4' energy: -24.131 flat angles C4'-P-C4' energy: -27.763 flat angles P-C4'-P energy: -14.494 tors. eta vs tors. theta energy: -29.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -399.522163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.522163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.522163 (E_RNA) where: Base-Base interactions energy: -263.313 where: short stacking energy: -120.491 Base-Backbone interact. energy: -1.346 local terms energy: -134.863129 where: bonds (distance) C4'-P energy: -19.585 bonds (distance) P-C4' energy: -26.687 flat angles C4'-P-C4' energy: -29.410 flat angles P-C4'-P energy: -21.377 tors. eta vs tors. theta energy: -37.805 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: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -395.669200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.669200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.669200 (E_RNA) where: Base-Base interactions energy: -273.508 where: short stacking energy: -116.038 Base-Backbone interact. energy: -0.668 local terms energy: -121.493247 where: bonds (distance) C4'-P energy: -21.679 bonds (distance) P-C4' energy: -25.153 flat angles C4'-P-C4' energy: -21.301 flat angles P-C4'-P energy: -16.334 tors. eta vs tors. theta energy: -37.026 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: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -359.391668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.391668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.391668 (E_RNA) where: Base-Base interactions energy: -230.993 where: short stacking energy: -113.547 Base-Backbone interact. energy: -0.670 local terms energy: -127.728798 where: bonds (distance) C4'-P energy: -24.646 bonds (distance) P-C4' energy: -19.815 flat angles C4'-P-C4' energy: -27.484 flat angles P-C4'-P energy: -20.003 tors. eta vs tors. theta energy: -35.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -356.523424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.523424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.523424 (E_RNA) where: Base-Base interactions energy: -248.218 where: short stacking energy: -109.702 Base-Backbone interact. energy: -1.832 local terms energy: -106.473072 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -19.407 flat angles C4'-P-C4' energy: -24.045 flat angles P-C4'-P energy: -15.718 tors. eta vs tors. theta energy: -33.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -338.447344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.447344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.447344 (E_RNA) where: Base-Base interactions energy: -238.417 where: short stacking energy: -96.829 Base-Backbone interact. energy: 0.178 local terms energy: -100.208511 where: bonds (distance) C4'-P energy: -19.865 bonds (distance) P-C4' energy: -21.128 flat angles C4'-P-C4' energy: -16.698 flat angles P-C4'-P energy: -17.974 tors. eta vs tors. theta energy: -24.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -255.618442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.618442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.618442 (E_RNA) where: Base-Base interactions energy: -172.564 where: short stacking energy: -84.733 Base-Backbone interact. energy: -0.255 local terms energy: -82.798823 where: bonds (distance) C4'-P energy: -20.816 bonds (distance) P-C4' energy: -16.229 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -13.892 tors. eta vs tors. theta energy: -17.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -223.832989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.832989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.832989 (E_RNA) where: Base-Base interactions energy: -136.212 where: short stacking energy: -73.841 Base-Backbone interact. energy: 0.024 local terms energy: -87.644434 where: bonds (distance) C4'-P energy: -19.384 bonds (distance) P-C4' energy: -19.528 flat angles C4'-P-C4' energy: -25.266 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -16.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -181.750980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.750980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.750980 (E_RNA) where: Base-Base interactions energy: -101.207 where: short stacking energy: -47.236 Base-Backbone interact. energy: -1.276 local terms energy: -79.268607 where: bonds (distance) C4'-P energy: -19.571 bonds (distance) P-C4' energy: -22.870 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -17.270 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -190.658785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.658785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.658785 (E_RNA) where: Base-Base interactions energy: -105.974 where: short stacking energy: -58.819 Base-Backbone interact. energy: -0.180 local terms energy: -84.504568 where: bonds (distance) C4'-P energy: -20.759 bonds (distance) P-C4' energy: -24.144 flat angles C4'-P-C4' energy: -16.443 flat angles P-C4'-P energy: -12.205 tors. eta vs tors. theta energy: -10.954 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: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -407.512080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.512080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.512080 (E_RNA) where: Base-Base interactions energy: -287.637 where: short stacking energy: -123.011 Base-Backbone interact. energy: 2.865 local terms energy: -122.740176 where: bonds (distance) C4'-P energy: -18.593 bonds (distance) P-C4' energy: -24.325 flat angles C4'-P-C4' energy: -23.045 flat angles P-C4'-P energy: -18.400 tors. eta vs tors. theta energy: -38.378 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: 2, replica: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -390.274755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.274755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.274755 (E_RNA) where: Base-Base interactions energy: -262.900 where: short stacking energy: -128.007 Base-Backbone interact. energy: 0.611 local terms energy: -127.985857 where: bonds (distance) C4'-P energy: -24.418 bonds (distance) P-C4' energy: -25.014 flat angles C4'-P-C4' energy: -26.342 flat angles P-C4'-P energy: -16.578 tors. eta vs tors. theta energy: -35.633 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: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -389.689952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.689952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.689952 (E_RNA) where: Base-Base interactions energy: -264.975 where: short stacking energy: -109.839 Base-Backbone interact. energy: -0.204 local terms energy: -124.510530 where: bonds (distance) C4'-P energy: -23.061 bonds (distance) P-C4' energy: -26.940 flat angles C4'-P-C4' energy: -23.883 flat angles P-C4'-P energy: -17.309 tors. eta vs tors. theta energy: -33.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -360.448601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.448601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.448601 (E_RNA) where: Base-Base interactions energy: -238.363 where: short stacking energy: -118.427 Base-Backbone interact. energy: -0.223 local terms energy: -121.862102 where: bonds (distance) C4'-P energy: -21.864 bonds (distance) P-C4' energy: -25.473 flat angles C4'-P-C4' energy: -25.236 flat angles P-C4'-P energy: -15.719 tors. eta vs tors. theta energy: -33.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -351.339690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.339690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.339690 (E_RNA) where: Base-Base interactions energy: -240.645 where: short stacking energy: -99.254 Base-Backbone interact. energy: -0.431 local terms energy: -110.262933 where: bonds (distance) C4'-P energy: -22.519 bonds (distance) P-C4' energy: -20.787 flat angles C4'-P-C4' energy: -21.970 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -33.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -336.986001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.986001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.986001 (E_RNA) where: Base-Base interactions energy: -217.905 where: short stacking energy: -94.585 Base-Backbone interact. energy: -0.061 local terms energy: -119.019917 where: bonds (distance) C4'-P energy: -24.449 bonds (distance) P-C4' energy: -23.286 flat angles C4'-P-C4' energy: -26.976 flat angles P-C4'-P energy: -16.672 tors. eta vs tors. theta energy: -27.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -244.779635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.779635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.779635 (E_RNA) where: Base-Base interactions energy: -160.399 where: short stacking energy: -71.595 Base-Backbone interact. energy: -0.820 local terms energy: -83.560859 where: bonds (distance) C4'-P energy: -16.577 bonds (distance) P-C4' energy: -29.529 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -11.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -230.875098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.875098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.875098 (E_RNA) where: Base-Base interactions energy: -141.973 where: short stacking energy: -63.975 Base-Backbone interact. energy: -0.142 local terms energy: -88.759826 where: bonds (distance) C4'-P energy: -17.464 bonds (distance) P-C4' energy: -21.516 flat angles C4'-P-C4' energy: -21.941 flat angles P-C4'-P energy: -13.382 tors. eta vs tors. theta energy: -14.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -196.533641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.533641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.533641 (E_RNA) where: Base-Base interactions energy: -124.389 where: short stacking energy: -60.733 Base-Backbone interact. energy: 0.520 local terms energy: -72.664736 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -18.069 flat angles C4'-P-C4' energy: -21.036 flat angles P-C4'-P energy: -15.054 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: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -195.539933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.539933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.539933 (E_RNA) where: Base-Base interactions energy: -117.784 where: short stacking energy: -57.878 Base-Backbone interact. energy: 1.193 local terms energy: -78.948989 where: bonds (distance) C4'-P energy: -19.474 bonds (distance) P-C4' energy: -19.636 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -15.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -400.562973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.562973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.562973 (E_RNA) where: Base-Base interactions energy: -272.479 where: short stacking energy: -119.827 Base-Backbone interact. energy: -0.459 local terms energy: -127.625084 where: bonds (distance) C4'-P energy: -25.635 bonds (distance) P-C4' energy: -19.711 flat angles C4'-P-C4' energy: -26.611 flat angles P-C4'-P energy: -17.327 tors. eta vs tors. theta energy: -38.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -407.697324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.697324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.697324 (E_RNA) where: Base-Base interactions energy: -278.463 where: short stacking energy: -115.013 Base-Backbone interact. energy: -0.146 local terms energy: -129.088571 where: bonds (distance) C4'-P energy: -24.700 bonds (distance) P-C4' energy: -23.198 flat angles C4'-P-C4' energy: -27.339 flat angles P-C4'-P energy: -16.929 tors. eta vs tors. theta energy: -36.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -387.512442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.512442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.512442 (E_RNA) where: Base-Base interactions energy: -261.178 where: short stacking energy: -118.595 Base-Backbone interact. energy: -0.409 local terms energy: -125.924949 where: bonds (distance) C4'-P energy: -22.247 bonds (distance) P-C4' energy: -22.779 flat angles C4'-P-C4' energy: -28.569 flat angles P-C4'-P energy: -18.673 tors. eta vs tors. theta energy: -33.656 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: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -374.440873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.440873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.440873 (E_RNA) where: Base-Base interactions energy: -252.722 where: short stacking energy: -108.980 Base-Backbone interact. energy: -0.915 local terms energy: -120.804145 where: bonds (distance) C4'-P energy: -22.482 bonds (distance) P-C4' energy: -21.828 flat angles C4'-P-C4' energy: -23.263 flat angles P-C4'-P energy: -18.516 tors. eta vs tors. theta energy: -34.715 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: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -339.764884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.764884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.764884 (E_RNA) where: Base-Base interactions energy: -224.195 where: short stacking energy: -111.936 Base-Backbone interact. energy: -0.618 local terms energy: -114.952064 where: bonds (distance) C4'-P energy: -22.626 bonds (distance) P-C4' energy: -19.576 flat angles C4'-P-C4' energy: -27.124 flat angles P-C4'-P energy: -15.323 tors. eta vs tors. theta energy: -30.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -346.912972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.912972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.912972 (E_RNA) where: Base-Base interactions energy: -246.874 where: short stacking energy: -101.993 Base-Backbone interact. energy: 0.197 local terms energy: -100.236265 where: bonds (distance) C4'-P energy: -17.371 bonds (distance) P-C4' energy: -15.776 flat angles C4'-P-C4' energy: -21.967 flat angles P-C4'-P energy: -20.155 tors. eta vs tors. theta energy: -24.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -261.492764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.492764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.492764 (E_RNA) where: Base-Base interactions energy: -167.088 where: short stacking energy: -79.723 Base-Backbone interact. energy: -0.611 local terms energy: -93.793746 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -27.305 flat angles C4'-P-C4' energy: -19.476 flat angles P-C4'-P energy: -13.585 tors. eta vs tors. theta energy: -19.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -216.415474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.415474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.415474 (E_RNA) where: Base-Base interactions energy: -140.787 where: short stacking energy: -67.818 Base-Backbone interact. energy: 1.594 local terms energy: -77.222542 where: bonds (distance) C4'-P energy: -17.825 bonds (distance) P-C4' energy: -19.704 flat angles C4'-P-C4' energy: -16.948 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -17.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -215.429592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.429592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.429592 (E_RNA) where: Base-Base interactions energy: -129.981 where: short stacking energy: -65.138 Base-Backbone interact. energy: -0.361 local terms energy: -85.087363 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -19.202 flat angles C4'-P-C4' energy: -22.159 flat angles P-C4'-P energy: -13.982 tors. eta vs tors. theta energy: -16.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -194.907218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.907218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.907218 (E_RNA) where: Base-Base interactions energy: -124.073 where: short stacking energy: -59.835 Base-Backbone interact. energy: -0.676 local terms energy: -70.157815 where: bonds (distance) C4'-P energy: -18.806 bonds (distance) P-C4' energy: -22.159 flat angles C4'-P-C4' energy: -9.802 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -10.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -408.473869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.473869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.473869 (E_RNA) where: Base-Base interactions energy: -285.639 where: short stacking energy: -113.851 Base-Backbone interact. energy: 1.658 local terms energy: -124.492889 where: bonds (distance) C4'-P energy: -26.152 bonds (distance) P-C4' energy: -25.095 flat angles C4'-P-C4' energy: -22.873 flat angles P-C4'-P energy: -21.048 tors. eta vs tors. theta energy: -29.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -396.979901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.979901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.979901 (E_RNA) where: Base-Base interactions energy: -275.215 where: short stacking energy: -113.986 Base-Backbone interact. energy: -0.108 local terms energy: -121.656108 where: bonds (distance) C4'-P energy: -20.633 bonds (distance) P-C4' energy: -22.866 flat angles C4'-P-C4' energy: -24.091 flat angles P-C4'-P energy: -20.556 tors. eta vs tors. theta energy: -33.510 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: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -383.766380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.766380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.766380 (E_RNA) where: Base-Base interactions energy: -265.161 where: short stacking energy: -102.531 Base-Backbone interact. energy: -0.202 local terms energy: -118.402902 where: bonds (distance) C4'-P energy: -27.883 bonds (distance) P-C4' energy: -25.970 flat angles C4'-P-C4' energy: -22.806 flat angles P-C4'-P energy: -15.095 tors. eta vs tors. theta energy: -26.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -378.760892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.760892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.760892 (E_RNA) where: Base-Base interactions energy: -260.048 where: short stacking energy: -118.066 Base-Backbone interact. energy: -0.246 local terms energy: -118.467053 where: bonds (distance) C4'-P energy: -17.666 bonds (distance) P-C4' energy: -23.537 flat angles C4'-P-C4' energy: -23.798 flat angles P-C4'-P energy: -18.551 tors. eta vs tors. theta energy: -34.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -337.372157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.372157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.372157 (E_RNA) where: Base-Base interactions energy: -225.741 where: short stacking energy: -93.762 Base-Backbone interact. energy: -0.418 local terms energy: -111.213062 where: bonds (distance) C4'-P energy: -20.273 bonds (distance) P-C4' energy: -19.865 flat angles C4'-P-C4' energy: -27.259 flat angles P-C4'-P energy: -18.529 tors. eta vs tors. theta energy: -25.286 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: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -327.621144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.621144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.621144 (E_RNA) where: Base-Base interactions energy: -212.034 where: short stacking energy: -106.999 Base-Backbone interact. energy: -0.645 local terms energy: -114.942664 where: bonds (distance) C4'-P energy: -25.814 bonds (distance) P-C4' energy: -16.609 flat angles C4'-P-C4' energy: -27.478 flat angles P-C4'-P energy: -13.485 tors. eta vs tors. theta energy: -31.557 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: 432 Temperature: 1.200000 Total energy: -230.759783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.759783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.759783 (E_RNA) where: Base-Base interactions energy: -137.866 where: short stacking energy: -69.494 Base-Backbone interact. energy: -0.442 local terms energy: -92.452358 where: bonds (distance) C4'-P energy: -23.018 bonds (distance) P-C4' energy: -26.561 flat angles C4'-P-C4' energy: -18.530 flat angles P-C4'-P energy: -11.574 tors. eta vs tors. theta energy: -12.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -234.034749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.034749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.034749 (E_RNA) where: Base-Base interactions energy: -149.001 where: short stacking energy: -79.795 Base-Backbone interact. energy: -0.571 local terms energy: -84.463081 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -20.480 flat angles C4'-P-C4' energy: -23.562 flat angles P-C4'-P energy: -13.274 tors. eta vs tors. theta energy: -14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -194.600384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.600384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.600384 (E_RNA) where: Base-Base interactions energy: -120.788 where: short stacking energy: -68.745 Base-Backbone interact. energy: -1.701 local terms energy: -72.110900 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -17.174 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -13.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -188.844104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.844104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.844104 (E_RNA) where: Base-Base interactions energy: -125.090 where: short stacking energy: -66.409 Base-Backbone interact. energy: 1.014 local terms energy: -64.767668 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -16.699 flat angles C4'-P-C4' energy: -16.752 flat angles P-C4'-P energy: -12.214 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: 1, replica: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -403.278212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.278212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.278212 (E_RNA) where: Base-Base interactions energy: -291.438 where: short stacking energy: -121.919 Base-Backbone interact. energy: -0.150 local terms energy: -111.691002 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -23.755 flat angles C4'-P-C4' energy: -26.187 flat angles P-C4'-P energy: -15.528 tors. eta vs tors. theta energy: -32.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -413.021792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.021792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.021792 (E_RNA) where: Base-Base interactions energy: -291.665 where: short stacking energy: -118.629 Base-Backbone interact. energy: -1.259 local terms energy: -120.098008 where: bonds (distance) C4'-P energy: -18.191 bonds (distance) P-C4' energy: -19.314 flat angles C4'-P-C4' energy: -23.993 flat angles P-C4'-P energy: -23.699 tors. eta vs tors. theta energy: -34.900 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: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -375.381897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.381897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.381897 (E_RNA) where: Base-Base interactions energy: -268.809 where: short stacking energy: -102.696 Base-Backbone interact. energy: -0.341 local terms energy: -106.232191 where: bonds (distance) C4'-P energy: -20.398 bonds (distance) P-C4' energy: -18.598 flat angles C4'-P-C4' energy: -24.998 flat angles P-C4'-P energy: -20.788 tors. eta vs tors. theta energy: -21.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -366.581082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.581082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.581082 (E_RNA) where: Base-Base interactions energy: -244.888 where: short stacking energy: -103.842 Base-Backbone interact. energy: -1.763 local terms energy: -119.929511 where: bonds (distance) C4'-P energy: -20.279 bonds (distance) P-C4' energy: -26.935 flat angles C4'-P-C4' energy: -21.758 flat angles P-C4'-P energy: -15.202 tors. eta vs tors. theta energy: -35.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -336.295789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.295789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.295789 (E_RNA) where: Base-Base interactions energy: -221.475 where: short stacking energy: -86.457 Base-Backbone interact. energy: -0.901 local terms energy: -113.920233 where: bonds (distance) C4'-P energy: -26.922 bonds (distance) P-C4' energy: -27.498 flat angles C4'-P-C4' energy: -24.335 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -24.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -243.648695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.648695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.648695 (E_RNA) where: Base-Base interactions energy: -157.660 where: short stacking energy: -73.287 Base-Backbone interact. energy: -0.365 local terms energy: -85.623643 where: bonds (distance) C4'-P energy: -22.334 bonds (distance) P-C4' energy: -19.175 flat angles C4'-P-C4' energy: -19.656 flat angles P-C4'-P energy: -12.108 tors. eta vs tors. theta energy: -12.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -307.498034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.498034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.498034 (E_RNA) where: Base-Base interactions energy: -197.357 where: short stacking energy: -96.158 Base-Backbone interact. energy: -0.775 local terms energy: -109.365545 where: bonds (distance) C4'-P energy: -20.783 bonds (distance) P-C4' energy: -19.462 flat angles C4'-P-C4' energy: -23.032 flat angles P-C4'-P energy: -17.720 tors. eta vs tors. theta energy: -28.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -229.811909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.811909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.811909 (E_RNA) where: Base-Base interactions energy: -147.911 where: short stacking energy: -58.751 Base-Backbone interact. energy: 0.645 local terms energy: -82.546573 where: bonds (distance) C4'-P energy: -21.792 bonds (distance) P-C4' energy: -25.253 flat angles C4'-P-C4' energy: -16.051 flat angles P-C4'-P energy: -12.477 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: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -177.581213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.581213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.581213 (E_RNA) where: Base-Base interactions energy: -95.369 where: short stacking energy: -55.397 Base-Backbone interact. energy: -0.245 local terms energy: -81.967212 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -14.908 flat angles C4'-P-C4' energy: -23.174 flat angles P-C4'-P energy: -17.641 tors. eta vs tors. theta energy: -13.060 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: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -186.991015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.991015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.991015 (E_RNA) where: Base-Base interactions energy: -115.957 where: short stacking energy: -60.066 Base-Backbone interact. energy: -0.255 local terms energy: -70.778868 where: bonds (distance) C4'-P energy: -12.379 bonds (distance) P-C4' energy: -20.945 flat angles C4'-P-C4' energy: -20.823 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -12.403 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: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -412.807915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.807915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.807915 (E_RNA) where: Base-Base interactions energy: -278.642 where: short stacking energy: -111.875 Base-Backbone interact. energy: -0.879 local terms energy: -133.287295 where: bonds (distance) C4'-P energy: -24.297 bonds (distance) P-C4' energy: -24.482 flat angles C4'-P-C4' energy: -27.061 flat angles P-C4'-P energy: -18.721 tors. eta vs tors. theta energy: -38.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -394.045796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.045796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.045796 (E_RNA) where: Base-Base interactions energy: -275.861 where: short stacking energy: -115.207 Base-Backbone interact. energy: -0.054 local terms energy: -118.130703 where: bonds (distance) C4'-P energy: -21.267 bonds (distance) P-C4' energy: -20.523 flat angles C4'-P-C4' energy: -24.156 flat angles P-C4'-P energy: -15.197 tors. eta vs tors. theta energy: -36.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -393.405969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.405969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.405969 (E_RNA) where: Base-Base interactions energy: -267.274 where: short stacking energy: -115.931 Base-Backbone interact. energy: -0.417 local terms energy: -125.715554 where: bonds (distance) C4'-P energy: -24.126 bonds (distance) P-C4' energy: -22.598 flat angles C4'-P-C4' energy: -28.623 flat angles P-C4'-P energy: -14.649 tors. eta vs tors. theta energy: -35.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -347.198514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.198514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.198514 (E_RNA) where: Base-Base interactions energy: -244.662 where: short stacking energy: -98.299 Base-Backbone interact. energy: -0.408 local terms energy: -102.128108 where: bonds (distance) C4'-P energy: -26.128 bonds (distance) P-C4' energy: -23.394 flat angles C4'-P-C4' energy: -24.207 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -18.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -345.703243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.703243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.703243 (E_RNA) where: Base-Base interactions energy: -232.473 where: short stacking energy: -94.643 Base-Backbone interact. energy: -0.409 local terms energy: -112.821602 where: bonds (distance) C4'-P energy: -21.314 bonds (distance) P-C4' energy: -26.918 flat angles C4'-P-C4' energy: -21.942 flat angles P-C4'-P energy: -17.680 tors. eta vs tors. theta energy: -24.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -250.577661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.577661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.577661 (E_RNA) where: Base-Base interactions energy: -156.172 where: short stacking energy: -87.549 Base-Backbone interact. energy: -0.055 local terms energy: -94.350104 where: bonds (distance) C4'-P energy: -24.634 bonds (distance) P-C4' energy: -16.180 flat angles C4'-P-C4' energy: -22.513 flat angles P-C4'-P energy: -11.921 tors. eta vs tors. theta energy: -19.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -326.291204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.291204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.291204 (E_RNA) where: Base-Base interactions energy: -218.059 where: short stacking energy: -102.065 Base-Backbone interact. energy: -0.537 local terms energy: -107.694917 where: bonds (distance) C4'-P energy: -20.291 bonds (distance) P-C4' energy: -24.006 flat angles C4'-P-C4' energy: -23.550 flat angles P-C4'-P energy: -13.243 tors. eta vs tors. theta energy: -26.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -250.611280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.611280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.611280 (E_RNA) where: Base-Base interactions energy: -162.318 where: short stacking energy: -75.129 Base-Backbone interact. energy: -1.102 local terms energy: -87.191091 where: bonds (distance) C4'-P energy: -16.453 bonds (distance) P-C4' energy: -21.040 flat angles C4'-P-C4' energy: -21.996 flat angles P-C4'-P energy: -14.579 tors. eta vs tors. theta energy: -13.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -195.206115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.206115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.206115 (E_RNA) where: Base-Base interactions energy: -117.307 where: short stacking energy: -69.047 Base-Backbone interact. energy: -0.492 local terms energy: -77.406476 where: bonds (distance) C4'-P energy: -19.777 bonds (distance) P-C4' energy: -18.707 flat angles C4'-P-C4' energy: -19.662 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: -11.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -195.620179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.620179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.620179 (E_RNA) where: Base-Base interactions energy: -120.493 where: short stacking energy: -68.610 Base-Backbone interact. energy: -0.095 local terms energy: -75.031986 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -16.683 flat angles C4'-P-C4' energy: -21.344 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: -12.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -412.811872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.811872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.811872 (E_RNA) where: Base-Base interactions energy: -288.281 where: short stacking energy: -115.729 Base-Backbone interact. energy: -0.514 local terms energy: -124.016990 where: bonds (distance) C4'-P energy: -24.009 bonds (distance) P-C4' energy: -24.573 flat angles C4'-P-C4' energy: -23.033 flat angles P-C4'-P energy: -16.186 tors. eta vs tors. theta energy: -36.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -401.922693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.922693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.922693 (E_RNA) where: Base-Base interactions energy: -270.731 where: short stacking energy: -117.317 Base-Backbone interact. energy: -0.170 local terms energy: -131.021829 where: bonds (distance) C4'-P energy: -23.936 bonds (distance) P-C4' energy: -24.888 flat angles C4'-P-C4' energy: -23.423 flat angles P-C4'-P energy: -22.024 tors. eta vs tors. theta energy: -36.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -376.020317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.020317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.020317 (E_RNA) where: Base-Base interactions energy: -263.306 where: short stacking energy: -106.845 Base-Backbone interact. energy: -0.518 local terms energy: -112.196704 where: bonds (distance) C4'-P energy: -18.646 bonds (distance) P-C4' energy: -21.644 flat angles C4'-P-C4' energy: -25.902 flat angles P-C4'-P energy: -17.668 tors. eta vs tors. theta energy: -28.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -340.856089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.856089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.856089 (E_RNA) where: Base-Base interactions energy: -229.393 where: short stacking energy: -97.817 Base-Backbone interact. energy: -0.278 local terms energy: -111.184912 where: bonds (distance) C4'-P energy: -20.398 bonds (distance) P-C4' energy: -24.789 flat angles C4'-P-C4' energy: -27.905 flat angles P-C4'-P energy: -14.683 tors. eta vs tors. theta energy: -23.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -352.397008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.397008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.397008 (E_RNA) where: Base-Base interactions energy: -244.252 where: short stacking energy: -95.872 Base-Backbone interact. energy: -0.590 local terms energy: -107.554177 where: bonds (distance) C4'-P energy: -20.244 bonds (distance) P-C4' energy: -20.650 flat angles C4'-P-C4' energy: -25.849 flat angles P-C4'-P energy: -16.284 tors. eta vs tors. theta energy: -24.528 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: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -331.364658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.364658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.364658 (E_RNA) where: Base-Base interactions energy: -227.156 where: short stacking energy: -106.196 Base-Backbone interact. energy: 0.455 local terms energy: -104.663652 where: bonds (distance) C4'-P energy: -19.379 bonds (distance) P-C4' energy: -18.265 flat angles C4'-P-C4' energy: -26.727 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -28.535 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: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -221.947162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.947162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.947162 (E_RNA) where: Base-Base interactions energy: -129.752 where: short stacking energy: -56.204 Base-Backbone interact. energy: -0.771 local terms energy: -91.424391 where: bonds (distance) C4'-P energy: -20.418 bonds (distance) P-C4' energy: -27.290 flat angles C4'-P-C4' energy: -20.928 flat angles P-C4'-P energy: -16.925 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: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -234.628642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.628642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.628642 (E_RNA) where: Base-Base interactions energy: -149.909 where: short stacking energy: -65.166 Base-Backbone interact. energy: -1.063 local terms energy: -83.656890 where: bonds (distance) C4'-P energy: -24.084 bonds (distance) P-C4' energy: -22.965 flat angles C4'-P-C4' energy: -20.709 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -10.667 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: 435 Temperature: 1.300000 Total energy: -203.783746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.783746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.783746 (E_RNA) where: Base-Base interactions energy: -116.200 where: short stacking energy: -66.740 Base-Backbone interact. energy: -1.307 local terms energy: -86.276630 where: bonds (distance) C4'-P energy: -22.513 bonds (distance) P-C4' energy: -19.622 flat angles C4'-P-C4' energy: -20.064 flat angles P-C4'-P energy: -11.547 tors. eta vs tors. theta energy: -12.531 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: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -177.093358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.093358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.093358 (E_RNA) where: Base-Base interactions energy: -87.926 where: short stacking energy: -46.774 Base-Backbone interact. energy: -0.183 local terms energy: -88.984220 where: bonds (distance) C4'-P energy: -20.658 bonds (distance) P-C4' energy: -23.729 flat angles C4'-P-C4' energy: -19.036 flat angles P-C4'-P energy: -16.536 tors. eta vs tors. theta energy: -9.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -402.791484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.791484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.791484 (E_RNA) where: Base-Base interactions energy: -281.002 where: short stacking energy: -122.788 Base-Backbone interact. energy: -0.953 local terms energy: -120.836019 where: bonds (distance) C4'-P energy: -24.914 bonds (distance) P-C4' energy: -23.542 flat angles C4'-P-C4' energy: -24.975 flat angles P-C4'-P energy: -14.078 tors. eta vs tors. theta energy: -33.326 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: 3 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -414.332503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.332503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.332503 (E_RNA) where: Base-Base interactions energy: -284.826 where: short stacking energy: -120.722 Base-Backbone interact. energy: -0.762 local terms energy: -128.744856 where: bonds (distance) C4'-P energy: -21.762 bonds (distance) P-C4' energy: -26.203 flat angles C4'-P-C4' energy: -26.478 flat angles P-C4'-P energy: -19.737 tors. eta vs tors. theta energy: -34.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -387.284402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.284402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.284402 (E_RNA) where: Base-Base interactions energy: -273.733 where: short stacking energy: -107.000 Base-Backbone interact. energy: -0.879 local terms energy: -112.672757 where: bonds (distance) C4'-P energy: -20.486 bonds (distance) P-C4' energy: -19.268 flat angles C4'-P-C4' energy: -27.899 flat angles P-C4'-P energy: -15.836 tors. eta vs tors. theta energy: -29.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -362.590265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.590265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.590265 (E_RNA) where: Base-Base interactions energy: -237.029 where: short stacking energy: -102.834 Base-Backbone interact. energy: 1.465 local terms energy: -127.026268 where: bonds (distance) C4'-P energy: -28.372 bonds (distance) P-C4' energy: -21.824 flat angles C4'-P-C4' energy: -27.352 flat angles P-C4'-P energy: -19.555 tors. eta vs tors. theta energy: -29.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -350.719247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.719247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.719247 (E_RNA) where: Base-Base interactions energy: -233.007 where: short stacking energy: -121.064 Base-Backbone interact. energy: -0.056 local terms energy: -117.656757 where: bonds (distance) C4'-P energy: -20.225 bonds (distance) P-C4' energy: -19.788 flat angles C4'-P-C4' energy: -26.547 flat angles P-C4'-P energy: -16.465 tors. eta vs tors. theta energy: -34.632 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: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -337.202805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.202805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.202805 (E_RNA) where: Base-Base interactions energy: -228.847 where: short stacking energy: -104.431 Base-Backbone interact. energy: -0.023 local terms energy: -108.332396 where: bonds (distance) C4'-P energy: -22.469 bonds (distance) P-C4' energy: -19.444 flat angles C4'-P-C4' energy: -21.218 flat angles P-C4'-P energy: -16.399 tors. eta vs tors. theta energy: -28.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -240.817014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.817014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.817014 (E_RNA) where: Base-Base interactions energy: -161.369 where: short stacking energy: -81.525 Base-Backbone interact. energy: -0.763 local terms energy: -78.685295 where: bonds (distance) C4'-P energy: -17.569 bonds (distance) P-C4' energy: -19.041 flat angles C4'-P-C4' energy: -17.828 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -196.175099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.175099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.175099 (E_RNA) where: Base-Base interactions energy: -106.172 where: short stacking energy: -66.004 Base-Backbone interact. energy: 0.995 local terms energy: -90.997732 where: bonds (distance) C4'-P energy: -16.834 bonds (distance) P-C4' energy: -25.130 flat angles C4'-P-C4' energy: -22.922 flat angles P-C4'-P energy: -12.324 tors. eta vs tors. theta energy: -13.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -178.365196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.365196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.365196 (E_RNA) where: Base-Base interactions energy: -104.762 where: short stacking energy: -52.367 Base-Backbone interact. energy: 0.535 local terms energy: -74.138297 where: bonds (distance) C4'-P energy: -16.499 bonds (distance) P-C4' energy: -21.331 flat angles C4'-P-C4' energy: -20.832 flat angles P-C4'-P energy: -11.739 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: 5 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -132.324859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.324859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.324859 (E_RNA) where: Base-Base interactions energy: -47.669 where: short stacking energy: -35.117 Base-Backbone interact. energy: -1.315 local terms energy: -83.340708 where: bonds (distance) C4'-P energy: -21.086 bonds (distance) P-C4' energy: -23.210 flat angles C4'-P-C4' energy: -28.686 flat angles P-C4'-P energy: -9.760 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -409.179360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.179360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.179360 (E_RNA) where: Base-Base interactions energy: -278.774 where: short stacking energy: -122.901 Base-Backbone interact. energy: -0.173 local terms energy: -130.232274 where: bonds (distance) C4'-P energy: -23.232 bonds (distance) P-C4' energy: -22.832 flat angles C4'-P-C4' energy: -26.469 flat angles P-C4'-P energy: -21.178 tors. eta vs tors. theta energy: -36.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -407.448768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.448768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.448768 (E_RNA) where: Base-Base interactions energy: -287.504 where: short stacking energy: -117.209 Base-Backbone interact. energy: -0.165 local terms energy: -119.779962 where: bonds (distance) C4'-P energy: -21.354 bonds (distance) P-C4' energy: -23.432 flat angles C4'-P-C4' energy: -28.521 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -34.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -404.571619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.571619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.571619 (E_RNA) where: Base-Base interactions energy: -284.891 where: short stacking energy: -118.359 Base-Backbone interact. energy: -0.498 local terms energy: -119.182493 where: bonds (distance) C4'-P energy: -26.772 bonds (distance) P-C4' energy: -19.534 flat angles C4'-P-C4' energy: -21.422 flat angles P-C4'-P energy: -16.327 tors. eta vs tors. theta energy: -35.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -372.286343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.286343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.286343 (E_RNA) where: Base-Base interactions energy: -249.829 where: short stacking energy: -105.531 Base-Backbone interact. energy: -0.891 local terms energy: -121.566390 where: bonds (distance) C4'-P energy: -23.317 bonds (distance) P-C4' energy: -25.116 flat angles C4'-P-C4' energy: -22.567 flat angles P-C4'-P energy: -20.308 tors. eta vs tors. theta energy: -30.258 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: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -344.157389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.157389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.157389 (E_RNA) where: Base-Base interactions energy: -221.696 where: short stacking energy: -105.322 Base-Backbone interact. energy: -1.507 local terms energy: -120.954528 where: bonds (distance) C4'-P energy: -22.940 bonds (distance) P-C4' energy: -24.747 flat angles C4'-P-C4' energy: -22.173 flat angles P-C4'-P energy: -19.482 tors. eta vs tors. theta energy: -31.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -330.655340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.655340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.655340 (E_RNA) where: Base-Base interactions energy: -217.528 where: short stacking energy: -98.073 Base-Backbone interact. energy: -0.926 local terms energy: -112.201249 where: bonds (distance) C4'-P energy: -20.908 bonds (distance) P-C4' energy: -28.639 flat angles C4'-P-C4' energy: -19.803 flat angles P-C4'-P energy: -18.200 tors. eta vs tors. theta energy: -24.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -272.745878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.745878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.745878 (E_RNA) where: Base-Base interactions energy: -177.204 where: short stacking energy: -80.152 Base-Backbone interact. energy: -0.575 local terms energy: -94.966573 where: bonds (distance) C4'-P energy: -23.980 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -23.334 flat angles P-C4'-P energy: -15.113 tors. eta vs tors. theta energy: -16.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -194.448394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.448394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.448394 (E_RNA) where: Base-Base interactions energy: -104.790 where: short stacking energy: -59.259 Base-Backbone interact. energy: -0.186 local terms energy: -89.472335 where: bonds (distance) C4'-P energy: -23.251 bonds (distance) P-C4' energy: -22.330 flat angles C4'-P-C4' energy: -21.398 flat angles P-C4'-P energy: -13.958 tors. eta vs tors. theta energy: -8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -172.404185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.404185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.404185 (E_RNA) where: Base-Base interactions energy: -86.953 where: short stacking energy: -42.530 Base-Backbone interact. energy: 0.023 local terms energy: -85.474200 where: bonds (distance) C4'-P energy: -21.115 bonds (distance) P-C4' energy: -23.364 flat angles C4'-P-C4' energy: -23.998 flat angles P-C4'-P energy: -10.255 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: 10, replica: 5 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -114.606740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.606740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.606740 (E_RNA) where: Base-Base interactions energy: -39.527 where: short stacking energy: -36.582 Base-Backbone interact. energy: -0.223 local terms energy: -74.856025 where: bonds (distance) C4'-P energy: -21.778 bonds (distance) P-C4' energy: -21.658 flat angles C4'-P-C4' energy: -22.941 flat angles P-C4'-P energy: -13.378 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: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -405.991711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.991711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.991711 (E_RNA) where: Base-Base interactions energy: -286.478 where: short stacking energy: -121.733 Base-Backbone interact. energy: -0.300 local terms energy: -119.214057 where: bonds (distance) C4'-P energy: -27.063 bonds (distance) P-C4' energy: -21.576 flat angles C4'-P-C4' energy: -23.708 flat angles P-C4'-P energy: -12.088 tors. eta vs tors. theta energy: -34.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -410.737318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.737318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.737318 (E_RNA) where: Base-Base interactions energy: -280.574 where: short stacking energy: -123.554 Base-Backbone interact. energy: -0.276 local terms energy: -129.886623 where: bonds (distance) C4'-P energy: -24.824 bonds (distance) P-C4' energy: -26.655 flat angles C4'-P-C4' energy: -27.251 flat angles P-C4'-P energy: -14.925 tors. eta vs tors. theta energy: -36.232 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: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -382.931889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.931889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.931889 (E_RNA) where: Base-Base interactions energy: -264.422 where: short stacking energy: -116.987 Base-Backbone interact. energy: -0.001 local terms energy: -118.508837 where: bonds (distance) C4'-P energy: -18.934 bonds (distance) P-C4' energy: -19.193 flat angles C4'-P-C4' energy: -27.332 flat angles P-C4'-P energy: -17.359 tors. eta vs tors. theta energy: -35.691 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: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -356.257131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.257131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.257131 (E_RNA) where: Base-Base interactions energy: -254.497 where: short stacking energy: -97.631 Base-Backbone interact. energy: -0.363 local terms energy: -101.396981 where: bonds (distance) C4'-P energy: -19.525 bonds (distance) P-C4' energy: -23.588 flat angles C4'-P-C4' energy: -21.218 flat angles P-C4'-P energy: -15.953 tors. eta vs tors. theta energy: -21.114 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: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -346.568017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.568017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.568017 (E_RNA) where: Base-Base interactions energy: -232.587 where: short stacking energy: -97.047 Base-Backbone interact. energy: 0.085 local terms energy: -114.066046 where: bonds (distance) C4'-P energy: -21.562 bonds (distance) P-C4' energy: -26.555 flat angles C4'-P-C4' energy: -24.184 flat angles P-C4'-P energy: -15.267 tors. eta vs tors. theta energy: -26.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -314.641830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.641830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.641830 (E_RNA) where: Base-Base interactions energy: -208.256 where: short stacking energy: -99.224 Base-Backbone interact. energy: -0.884 local terms energy: -105.501815 where: bonds (distance) C4'-P energy: -22.609 bonds (distance) P-C4' energy: -22.485 flat angles C4'-P-C4' energy: -21.729 flat angles P-C4'-P energy: -11.743 tors. eta vs tors. theta energy: -26.937 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: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -250.450604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.450604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.450604 (E_RNA) where: Base-Base interactions energy: -150.107 where: short stacking energy: -74.389 Base-Backbone interact. energy: -0.503 local terms energy: -99.840701 where: bonds (distance) C4'-P energy: -20.501 bonds (distance) P-C4' energy: -19.656 flat angles C4'-P-C4' energy: -27.237 flat angles P-C4'-P energy: -13.608 tors. eta vs tors. theta energy: -18.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -201.728917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.728917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.728917 (E_RNA) where: Base-Base interactions energy: -119.314 where: short stacking energy: -72.824 Base-Backbone interact. energy: -0.874 local terms energy: -81.540185 where: bonds (distance) C4'-P energy: -23.913 bonds (distance) P-C4' energy: -21.299 flat angles C4'-P-C4' energy: -20.902 flat angles P-C4'-P energy: -12.210 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: 9, replica: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -117.331844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.331844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.331844 (E_RNA) where: Base-Base interactions energy: -43.445 where: short stacking energy: -31.149 Base-Backbone interact. energy: 5.972 local terms energy: -79.858813 where: bonds (distance) C4'-P energy: -19.509 bonds (distance) P-C4' energy: -28.594 flat angles C4'-P-C4' energy: -13.919 flat angles P-C4'-P energy: -13.965 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: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -129.676435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.676435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.676435 (E_RNA) where: Base-Base interactions energy: -61.636 where: short stacking energy: -31.999 Base-Backbone interact. energy: -0.398 local terms energy: -67.642131 where: bonds (distance) C4'-P energy: -18.310 bonds (distance) P-C4' energy: -25.112 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: 1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -403.409213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.409213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.409213 (E_RNA) where: Base-Base interactions energy: -282.139 where: short stacking energy: -125.159 Base-Backbone interact. energy: -1.142 local terms energy: -120.128456 where: bonds (distance) C4'-P energy: -19.649 bonds (distance) P-C4' energy: -26.296 flat angles C4'-P-C4' energy: -23.802 flat angles P-C4'-P energy: -17.666 tors. eta vs tors. theta energy: -32.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -399.374331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.374331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.374331 (E_RNA) where: Base-Base interactions energy: -268.827 where: short stacking energy: -118.792 Base-Backbone interact. energy: -0.787 local terms energy: -129.760765 where: bonds (distance) C4'-P energy: -25.511 bonds (distance) P-C4' energy: -19.892 flat angles C4'-P-C4' energy: -28.155 flat angles P-C4'-P energy: -17.941 tors. eta vs tors. theta energy: -38.261 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: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -370.761987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.761987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.761987 (E_RNA) where: Base-Base interactions energy: -245.734 where: short stacking energy: -108.771 Base-Backbone interact. energy: -0.410 local terms energy: -124.618233 where: bonds (distance) C4'-P energy: -20.592 bonds (distance) P-C4' energy: -26.281 flat angles C4'-P-C4' energy: -27.318 flat angles P-C4'-P energy: -19.095 tors. eta vs tors. theta energy: -31.333 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: 2 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -351.374405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.374405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.374405 (E_RNA) where: Base-Base interactions energy: -236.252 where: short stacking energy: -106.524 Base-Backbone interact. energy: -0.901 local terms energy: -114.221585 where: bonds (distance) C4'-P energy: -20.385 bonds (distance) P-C4' energy: -24.763 flat angles C4'-P-C4' energy: -21.676 flat angles P-C4'-P energy: -18.084 tors. eta vs tors. theta energy: -29.313 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: 439 Temperature: 1.100000 Total energy: -352.591681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.591681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.591681 (E_RNA) where: Base-Base interactions energy: -251.354 where: short stacking energy: -94.581 Base-Backbone interact. energy: -0.159 local terms energy: -101.079139 where: bonds (distance) C4'-P energy: -19.761 bonds (distance) P-C4' energy: -21.833 flat angles C4'-P-C4' energy: -25.564 flat angles P-C4'-P energy: -11.993 tors. eta vs tors. theta energy: -21.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -323.112305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.112305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.112305 (E_RNA) where: Base-Base interactions energy: -215.558 where: short stacking energy: -105.985 Base-Backbone interact. energy: -0.210 local terms energy: -107.344503 where: bonds (distance) C4'-P energy: -14.765 bonds (distance) P-C4' energy: -25.835 flat angles C4'-P-C4' energy: -21.751 flat angles P-C4'-P energy: -15.337 tors. eta vs tors. theta energy: -29.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -256.599433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.599433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.599433 (E_RNA) where: Base-Base interactions energy: -155.856 where: short stacking energy: -75.454 Base-Backbone interact. energy: -0.968 local terms energy: -99.775600 where: bonds (distance) C4'-P energy: -23.204 bonds (distance) P-C4' energy: -17.533 flat angles C4'-P-C4' energy: -23.480 flat angles P-C4'-P energy: -16.527 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -208.561675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.561675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.561675 (E_RNA) where: Base-Base interactions energy: -121.968 where: short stacking energy: -79.601 Base-Backbone interact. energy: 0.606 local terms energy: -87.199984 where: bonds (distance) C4'-P energy: -16.756 bonds (distance) P-C4' energy: -22.386 flat angles C4'-P-C4' energy: -16.291 flat angles P-C4'-P energy: -14.480 tors. eta vs tors. theta energy: -17.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -163.524941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.524941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.524941 (E_RNA) where: Base-Base interactions energy: -91.080 where: short stacking energy: -42.361 Base-Backbone interact. energy: -0.496 local terms energy: -71.948948 where: bonds (distance) C4'-P energy: -22.994 bonds (distance) P-C4' energy: -16.486 flat angles C4'-P-C4' energy: -21.245 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -147.291214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.291214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.291214 (E_RNA) where: Base-Base interactions energy: -69.251 where: short stacking energy: -47.827 Base-Backbone interact. energy: -0.150 local terms energy: -77.890330 where: bonds (distance) C4'-P energy: -17.722 bonds (distance) P-C4' energy: -22.897 flat angles C4'-P-C4' energy: -21.993 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -417.345880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.345880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.345880 (E_RNA) where: Base-Base interactions energy: -296.362 where: short stacking energy: -125.182 Base-Backbone interact. energy: -0.312 local terms energy: -120.671798 where: bonds (distance) C4'-P energy: -20.820 bonds (distance) P-C4' energy: -22.259 flat angles C4'-P-C4' energy: -23.745 flat angles P-C4'-P energy: -18.306 tors. eta vs tors. theta energy: -35.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -392.085769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.085769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.085769 (E_RNA) where: Base-Base interactions energy: -260.366 where: short stacking energy: -121.695 Base-Backbone interact. energy: -0.256 local terms energy: -131.463642 where: bonds (distance) C4'-P energy: -27.584 bonds (distance) P-C4' energy: -27.771 flat angles C4'-P-C4' energy: -27.862 flat angles P-C4'-P energy: -12.537 tors. eta vs tors. theta energy: -35.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -376.169406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.169406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.169406 (E_RNA) where: Base-Base interactions energy: -258.402 where: short stacking energy: -114.934 Base-Backbone interact. energy: -0.092 local terms energy: -117.675568 where: bonds (distance) C4'-P energy: -23.494 bonds (distance) P-C4' energy: -25.946 flat angles C4'-P-C4' energy: -23.385 flat angles P-C4'-P energy: -20.158 tors. eta vs tors. theta energy: -24.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -363.203059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.203059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.203059 (E_RNA) where: Base-Base interactions energy: -237.407 where: short stacking energy: -110.315 Base-Backbone interact. energy: -1.229 local terms energy: -124.566433 where: bonds (distance) C4'-P energy: -24.321 bonds (distance) P-C4' energy: -25.900 flat angles C4'-P-C4' energy: -25.852 flat angles P-C4'-P energy: -14.815 tors. eta vs tors. theta energy: -33.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -329.734283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.734283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.734283 (E_RNA) where: Base-Base interactions energy: -208.167 where: short stacking energy: -97.171 Base-Backbone interact. energy: -0.135 local terms energy: -121.432708 where: bonds (distance) C4'-P energy: -24.779 bonds (distance) P-C4' energy: -21.300 flat angles C4'-P-C4' energy: -26.326 flat angles P-C4'-P energy: -17.749 tors. eta vs tors. theta energy: -31.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -340.099148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.099148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.099148 (E_RNA) where: Base-Base interactions energy: -236.178 where: short stacking energy: -99.099 Base-Backbone interact. energy: 0.601 local terms energy: -104.521549 where: bonds (distance) C4'-P energy: -22.486 bonds (distance) P-C4' energy: -19.442 flat angles C4'-P-C4' energy: -19.148 flat angles P-C4'-P energy: -16.391 tors. eta vs tors. theta energy: -27.055 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: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -227.391928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.391928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.391928 (E_RNA) where: Base-Base interactions energy: -135.074 where: short stacking energy: -62.504 Base-Backbone interact. energy: -0.468 local terms energy: -91.849901 where: bonds (distance) C4'-P energy: -25.060 bonds (distance) P-C4' energy: -18.564 flat angles C4'-P-C4' energy: -21.221 flat angles P-C4'-P energy: -17.444 tors. eta vs tors. theta energy: -9.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -232.312153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.312153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.312153 (E_RNA) where: Base-Base interactions energy: -141.291 where: short stacking energy: -75.669 Base-Backbone interact. energy: 0.930 local terms energy: -91.951306 where: bonds (distance) C4'-P energy: -18.759 bonds (distance) P-C4' energy: -22.503 flat angles C4'-P-C4' energy: -22.469 flat angles P-C4'-P energy: -15.273 tors. eta vs tors. theta energy: -12.948 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: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -122.165113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.165113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.165113 (E_RNA) where: Base-Base interactions energy: -46.085 where: short stacking energy: -43.434 Base-Backbone interact. energy: -0.594 local terms energy: -75.486643 where: bonds (distance) C4'-P energy: -18.749 bonds (distance) P-C4' energy: -22.998 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -14.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -114.743421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.743421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.743421 (E_RNA) where: Base-Base interactions energy: -45.879 where: short stacking energy: -43.038 Base-Backbone interact. energy: 0.258 local terms energy: -69.121617 where: bonds (distance) C4'-P energy: -21.247 bonds (distance) P-C4' energy: -21.941 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -18.411 tors. eta vs tors. theta energy: -0.821 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: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -417.999398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.999398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.999398 (E_RNA) where: Base-Base interactions energy: -283.930 where: short stacking energy: -115.234 Base-Backbone interact. energy: -1.926 local terms energy: -132.144075 where: bonds (distance) C4'-P energy: -24.575 bonds (distance) P-C4' energy: -26.525 flat angles C4'-P-C4' energy: -26.626 flat angles P-C4'-P energy: -19.085 tors. eta vs tors. theta energy: -35.333 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: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -380.453386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.453386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.453386 (E_RNA) where: Base-Base interactions energy: -259.287 where: short stacking energy: -117.797 Base-Backbone interact. energy: -1.616 local terms energy: -119.550536 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -24.879 flat angles C4'-P-C4' energy: -25.854 flat angles P-C4'-P energy: -16.643 tors. eta vs tors. theta energy: -37.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -360.372480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.372480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.372480 (E_RNA) where: Base-Base interactions energy: -248.154 where: short stacking energy: -108.628 Base-Backbone interact. energy: -0.511 local terms energy: -111.707100 where: bonds (distance) C4'-P energy: -22.123 bonds (distance) P-C4' energy: -21.094 flat angles C4'-P-C4' energy: -27.028 flat angles P-C4'-P energy: -14.349 tors. eta vs tors. theta energy: -27.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -370.142376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.142376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.142376 (E_RNA) where: Base-Base interactions energy: -248.219 where: short stacking energy: -112.782 Base-Backbone interact. energy: -0.843 local terms energy: -121.079828 where: bonds (distance) C4'-P energy: -24.671 bonds (distance) P-C4' energy: -24.270 flat angles C4'-P-C4' energy: -27.685 flat angles P-C4'-P energy: -16.324 tors. eta vs tors. theta energy: -28.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -342.954577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.954577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.954577 (E_RNA) where: Base-Base interactions energy: -240.096 where: short stacking energy: -105.155 Base-Backbone interact. energy: -0.147 local terms energy: -102.710996 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -24.486 flat angles C4'-P-C4' energy: -23.628 flat angles P-C4'-P energy: -16.003 tors. eta vs tors. theta energy: -23.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -350.907297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.907297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.907297 (E_RNA) where: Base-Base interactions energy: -250.490 where: short stacking energy: -109.715 Base-Backbone interact. energy: -0.624 local terms energy: -99.792968 where: bonds (distance) C4'-P energy: -21.969 bonds (distance) P-C4' energy: -17.933 flat angles C4'-P-C4' energy: -18.513 flat angles P-C4'-P energy: -14.578 tors. eta vs tors. theta energy: -26.800 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: 441 Temperature: 1.200000 Total energy: -241.695313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.695313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.695313 (E_RNA) where: Base-Base interactions energy: -155.808 where: short stacking energy: -66.953 Base-Backbone interact. energy: 0.090 local terms energy: -85.977213 where: bonds (distance) C4'-P energy: -17.407 bonds (distance) P-C4' energy: -17.624 flat angles C4'-P-C4' energy: -24.080 flat angles P-C4'-P energy: -15.746 tors. eta vs tors. theta energy: -11.120 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: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -246.778759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.778759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.778759 (E_RNA) where: Base-Base interactions energy: -162.596 where: short stacking energy: -74.955 Base-Backbone interact. energy: -0.358 local terms energy: -83.824153 where: bonds (distance) C4'-P energy: -19.554 bonds (distance) P-C4' energy: -23.475 flat angles C4'-P-C4' energy: -18.773 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -10.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -115.054761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.054761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.054761 (E_RNA) where: Base-Base interactions energy: -40.493 where: short stacking energy: -27.194 Base-Backbone interact. energy: -0.894 local terms energy: -73.668312 where: bonds (distance) C4'-P energy: -23.872 bonds (distance) P-C4' energy: -21.397 flat angles C4'-P-C4' energy: -19.148 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: 0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -112.194424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.194424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.194424 (E_RNA) where: Base-Base interactions energy: -49.314 where: short stacking energy: -49.314 Base-Backbone interact. energy: -1.351 local terms energy: -61.529789 where: bonds (distance) C4'-P energy: -17.034 bonds (distance) P-C4' energy: -16.990 flat angles C4'-P-C4' energy: -11.902 flat angles P-C4'-P energy: -13.339 tors. eta vs tors. theta energy: -2.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -403.234929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.234929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.234929 (E_RNA) where: Base-Base interactions energy: -287.878 where: short stacking energy: -117.614 Base-Backbone interact. energy: -0.525 local terms energy: -114.831768 where: bonds (distance) C4'-P energy: -18.829 bonds (distance) P-C4' energy: -21.634 flat angles C4'-P-C4' energy: -23.235 flat angles P-C4'-P energy: -15.397 tors. eta vs tors. theta energy: -35.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -392.505934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.505934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.505934 (E_RNA) where: Base-Base interactions energy: -261.987 where: short stacking energy: -116.910 Base-Backbone interact. energy: 0.525 local terms energy: -131.043450 where: bonds (distance) C4'-P energy: -27.556 bonds (distance) P-C4' energy: -26.426 flat angles C4'-P-C4' energy: -25.375 flat angles P-C4'-P energy: -18.416 tors. eta vs tors. theta energy: -33.271 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: 442 Temperature: 1.000000 Total energy: -359.027400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.027400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.027400 (E_RNA) where: Base-Base interactions energy: -240.026 where: short stacking energy: -112.084 Base-Backbone interact. energy: -0.166 local terms energy: -118.834762 where: bonds (distance) C4'-P energy: -21.550 bonds (distance) P-C4' energy: -27.865 flat angles C4'-P-C4' energy: -24.184 flat angles P-C4'-P energy: -19.025 tors. eta vs tors. theta energy: -26.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -363.163762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.163762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.163762 (E_RNA) where: Base-Base interactions energy: -245.675 where: short stacking energy: -106.821 Base-Backbone interact. energy: -1.526 local terms energy: -115.962818 where: bonds (distance) C4'-P energy: -22.973 bonds (distance) P-C4' energy: -20.232 flat angles C4'-P-C4' energy: -22.695 flat angles P-C4'-P energy: -18.027 tors. eta vs tors. theta energy: -32.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -360.134391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.134391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.134391 (E_RNA) where: Base-Base interactions energy: -246.351 where: short stacking energy: -109.363 Base-Backbone interact. energy: -0.022 local terms energy: -113.761985 where: bonds (distance) C4'-P energy: -19.944 bonds (distance) P-C4' energy: -22.392 flat angles C4'-P-C4' energy: -25.466 flat angles P-C4'-P energy: -17.289 tors. eta vs tors. theta energy: -28.672 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: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -336.495195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.495195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.495195 (E_RNA) where: Base-Base interactions energy: -232.481 where: short stacking energy: -89.871 Base-Backbone interact. energy: -0.502 local terms energy: -103.513046 where: bonds (distance) C4'-P energy: -18.323 bonds (distance) P-C4' energy: -24.337 flat angles C4'-P-C4' energy: -27.345 flat angles P-C4'-P energy: -12.238 tors. eta vs tors. theta energy: -21.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -251.597640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.597640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.597640 (E_RNA) where: Base-Base interactions energy: -155.418 where: short stacking energy: -70.150 Base-Backbone interact. energy: -0.205 local terms energy: -95.975395 where: bonds (distance) C4'-P energy: -22.605 bonds (distance) P-C4' energy: -22.196 flat angles C4'-P-C4' energy: -25.380 flat angles P-C4'-P energy: -13.436 tors. eta vs tors. theta energy: -12.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -223.536379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.536379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.536379 (E_RNA) where: Base-Base interactions energy: -137.686 where: short stacking energy: -67.225 Base-Backbone interact. energy: -0.529 local terms energy: -85.320536 where: bonds (distance) C4'-P energy: -19.529 bonds (distance) P-C4' energy: -18.238 flat angles C4'-P-C4' energy: -17.952 flat angles P-C4'-P energy: -15.341 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -125.110579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.110579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.110579 (E_RNA) where: Base-Base interactions energy: -40.748 where: short stacking energy: -40.748 Base-Backbone interact. energy: -0.096 local terms energy: -84.266685 where: bonds (distance) C4'-P energy: -21.881 bonds (distance) P-C4' energy: -25.330 flat angles C4'-P-C4' energy: -18.968 flat angles P-C4'-P energy: -10.432 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: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -116.445527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.445527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.445527 (E_RNA) where: Base-Base interactions energy: -43.691 where: short stacking energy: -36.559 Base-Backbone interact. energy: -1.022 local terms energy: -71.732715 where: bonds (distance) C4'-P energy: -22.819 bonds (distance) P-C4' energy: -26.014 flat angles C4'-P-C4' energy: -8.975 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -423.737264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.737264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.737264 (E_RNA) where: Base-Base interactions energy: -300.782 where: short stacking energy: -129.180 Base-Backbone interact. energy: -1.025 local terms energy: -121.930708 where: bonds (distance) C4'-P energy: -26.554 bonds (distance) P-C4' energy: -22.813 flat angles C4'-P-C4' energy: -23.267 flat angles P-C4'-P energy: -15.553 tors. eta vs tors. theta energy: -33.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -394.471522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.471522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.471522 (E_RNA) where: Base-Base interactions energy: -264.362 where: short stacking energy: -118.408 Base-Backbone interact. energy: -0.305 local terms energy: -129.804269 where: bonds (distance) C4'-P energy: -24.951 bonds (distance) P-C4' energy: -22.966 flat angles C4'-P-C4' energy: -26.804 flat angles P-C4'-P energy: -15.244 tors. eta vs tors. theta energy: -39.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -370.047134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.047134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.047134 (E_RNA) where: Base-Base interactions energy: -247.173 where: short stacking energy: -114.929 Base-Backbone interact. energy: -0.730 local terms energy: -122.143237 where: bonds (distance) C4'-P energy: -22.530 bonds (distance) P-C4' energy: -27.026 flat angles C4'-P-C4' energy: -21.352 flat angles P-C4'-P energy: -21.306 tors. eta vs tors. theta energy: -29.929 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: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -350.081897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.081897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.081897 (E_RNA) where: Base-Base interactions energy: -244.086 where: short stacking energy: -102.242 Base-Backbone interact. energy: -0.715 local terms energy: -105.281461 where: bonds (distance) C4'-P energy: -20.131 bonds (distance) P-C4' energy: -24.595 flat angles C4'-P-C4' energy: -21.744 flat angles P-C4'-P energy: -15.033 tors. eta vs tors. theta energy: -23.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -338.803167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.803167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.803167 (E_RNA) where: Base-Base interactions energy: -219.887 where: short stacking energy: -92.499 Base-Backbone interact. energy: -0.298 local terms energy: -118.618254 where: bonds (distance) C4'-P energy: -24.146 bonds (distance) P-C4' energy: -21.370 flat angles C4'-P-C4' energy: -28.766 flat angles P-C4'-P energy: -22.337 tors. eta vs tors. theta energy: -21.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -329.236964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.236964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.236964 (E_RNA) where: Base-Base interactions energy: -204.565 where: short stacking energy: -93.484 Base-Backbone interact. energy: -0.024 local terms energy: -124.648161 where: bonds (distance) C4'-P energy: -27.056 bonds (distance) P-C4' energy: -25.583 flat angles C4'-P-C4' energy: -24.732 flat angles P-C4'-P energy: -17.423 tors. eta vs tors. theta energy: -29.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -269.677911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.677911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.677911 (E_RNA) where: Base-Base interactions energy: -162.494 where: short stacking energy: -72.107 Base-Backbone interact. energy: -0.222 local terms energy: -106.962036 where: bonds (distance) C4'-P energy: -19.927 bonds (distance) P-C4' energy: -24.146 flat angles C4'-P-C4' energy: -27.413 flat angles P-C4'-P energy: -18.128 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -214.993950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.993950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.993950 (E_RNA) where: Base-Base interactions energy: -132.377 where: short stacking energy: -63.999 Base-Backbone interact. energy: -0.563 local terms energy: -82.053726 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -14.538 flat angles C4'-P-C4' energy: -23.333 flat angles P-C4'-P energy: -18.485 tors. eta vs tors. theta energy: -8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -127.138328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.138328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.138328 (E_RNA) where: Base-Base interactions energy: -42.126 where: short stacking energy: -36.201 Base-Backbone interact. energy: -0.057 local terms energy: -84.955353 where: bonds (distance) C4'-P energy: -26.032 bonds (distance) P-C4' energy: -26.198 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: -11.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -118.560582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.560582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.560582 (E_RNA) where: Base-Base interactions energy: -54.218 where: short stacking energy: -34.503 Base-Backbone interact. energy: -0.324 local terms energy: -64.018631 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -25.743 flat angles C4'-P-C4' energy: -8.984 flat angles P-C4'-P energy: -16.980 tors. eta vs tors. theta energy: 4.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -423.736347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.736347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.736347 (E_RNA) where: Base-Base interactions energy: -296.832 where: short stacking energy: -122.641 Base-Backbone interact. energy: -0.035 local terms energy: -126.868925 where: bonds (distance) C4'-P energy: -28.334 bonds (distance) P-C4' energy: -24.564 flat angles C4'-P-C4' energy: -23.575 flat angles P-C4'-P energy: -15.831 tors. eta vs tors. theta energy: -34.566 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: 2, replica: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -415.770770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.770770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.770770 (E_RNA) where: Base-Base interactions energy: -283.726 where: short stacking energy: -115.985 Base-Backbone interact. energy: 0.804 local terms energy: -132.848804 where: bonds (distance) C4'-P energy: -23.954 bonds (distance) P-C4' energy: -28.225 flat angles C4'-P-C4' energy: -24.319 flat angles P-C4'-P energy: -18.400 tors. eta vs tors. theta energy: -37.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -367.492524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.492524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.492524 (E_RNA) where: Base-Base interactions energy: -247.580 where: short stacking energy: -110.904 Base-Backbone interact. energy: 1.273 local terms energy: -121.186162 where: bonds (distance) C4'-P energy: -24.562 bonds (distance) P-C4' energy: -19.875 flat angles C4'-P-C4' energy: -26.265 flat angles P-C4'-P energy: -17.842 tors. eta vs tors. theta energy: -32.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -365.588262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.588262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.588262 (E_RNA) where: Base-Base interactions energy: -252.406 where: short stacking energy: -93.576 Base-Backbone interact. energy: -0.453 local terms energy: -112.728631 where: bonds (distance) C4'-P energy: -21.549 bonds (distance) P-C4' energy: -28.606 flat angles C4'-P-C4' energy: -21.350 flat angles P-C4'-P energy: -16.902 tors. eta vs tors. theta energy: -24.321 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: 3 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -353.138968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.138968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.138968 (E_RNA) where: Base-Base interactions energy: -223.926 where: short stacking energy: -101.006 Base-Backbone interact. energy: -0.797 local terms energy: -128.416215 where: bonds (distance) C4'-P energy: -24.087 bonds (distance) P-C4' energy: -25.993 flat angles C4'-P-C4' energy: -27.307 flat angles P-C4'-P energy: -17.682 tors. eta vs tors. theta energy: -33.348 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: 6, replica: 4 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -332.106773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.106773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.106773 (E_RNA) where: Base-Base interactions energy: -210.702 where: short stacking energy: -105.505 Base-Backbone interact. energy: -0.259 local terms energy: -121.145821 where: bonds (distance) C4'-P energy: -25.237 bonds (distance) P-C4' energy: -25.458 flat angles C4'-P-C4' energy: -28.173 flat angles P-C4'-P energy: -13.430 tors. eta vs tors. theta energy: -28.847 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: 6 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -225.940149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.940149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.940149 (E_RNA) where: Base-Base interactions energy: -137.214 where: short stacking energy: -71.784 Base-Backbone interact. energy: 1.567 local terms energy: -90.293541 where: bonds (distance) C4'-P energy: -19.020 bonds (distance) P-C4' energy: -23.764 flat angles C4'-P-C4' energy: -19.021 flat angles P-C4'-P energy: -17.386 tors. eta vs tors. theta energy: -11.103 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: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -206.989330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.989330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.989330 (E_RNA) where: Base-Base interactions energy: -124.692 where: short stacking energy: -51.312 Base-Backbone interact. energy: -1.033 local terms energy: -81.263849 where: bonds (distance) C4'-P energy: -21.919 bonds (distance) P-C4' energy: -25.949 flat angles C4'-P-C4' energy: -20.001 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -124.117364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.117364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.117364 (E_RNA) where: Base-Base interactions energy: -63.475 where: short stacking energy: -14.194 Base-Backbone interact. energy: -0.513 local terms energy: -60.128966 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -24.606 flat angles C4'-P-C4' energy: -18.264 flat angles P-C4'-P energy: -6.083 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: 10, replica: 5 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -111.690742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.690742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.690742 (E_RNA) where: Base-Base interactions energy: -45.773 where: short stacking energy: -41.249 Base-Backbone interact. energy: -0.422 local terms energy: -65.495465 where: bonds (distance) C4'-P energy: -16.882 bonds (distance) P-C4' energy: -16.527 flat angles C4'-P-C4' energy: -21.912 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -413.947160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.947160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.947160 (E_RNA) where: Base-Base interactions energy: -303.074 where: short stacking energy: -117.537 Base-Backbone interact. energy: -0.189 local terms energy: -110.684114 where: bonds (distance) C4'-P energy: -21.061 bonds (distance) P-C4' energy: -24.059 flat angles C4'-P-C4' energy: -22.895 flat angles P-C4'-P energy: -14.314 tors. eta vs tors. theta energy: -28.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -401.009557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.009557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.009557 (E_RNA) where: Base-Base interactions energy: -279.472 where: short stacking energy: -119.365 Base-Backbone interact. energy: -0.428 local terms energy: -121.109382 where: bonds (distance) C4'-P energy: -23.039 bonds (distance) P-C4' energy: -23.457 flat angles C4'-P-C4' energy: -18.704 flat angles P-C4'-P energy: -18.060 tors. eta vs tors. theta energy: -37.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -365.861802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.861802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.861802 (E_RNA) where: Base-Base interactions energy: -251.078 where: short stacking energy: -113.238 Base-Backbone interact. energy: -0.222 local terms energy: -114.561690 where: bonds (distance) C4'-P energy: -16.876 bonds (distance) P-C4' energy: -20.177 flat angles C4'-P-C4' energy: -22.428 flat angles P-C4'-P energy: -19.616 tors. eta vs tors. theta energy: -35.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -368.384386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.384386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.384386 (E_RNA) where: Base-Base interactions energy: -245.933 where: short stacking energy: -109.181 Base-Backbone interact. energy: -0.779 local terms energy: -121.672642 where: bonds (distance) C4'-P energy: -19.485 bonds (distance) P-C4' energy: -28.626 flat angles C4'-P-C4' energy: -23.829 flat angles P-C4'-P energy: -19.712 tors. eta vs tors. theta energy: -30.021 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: 3 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -342.164226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.164226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.164226 (E_RNA) where: Base-Base interactions energy: -229.403 where: short stacking energy: -101.795 Base-Backbone interact. energy: -0.009 local terms energy: -112.752418 where: bonds (distance) C4'-P energy: -17.823 bonds (distance) P-C4' energy: -18.493 flat angles C4'-P-C4' energy: -28.694 flat angles P-C4'-P energy: -19.254 tors. eta vs tors. theta energy: -28.488 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: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -323.950639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.950639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.950639 (E_RNA) where: Base-Base interactions energy: -214.469 where: short stacking energy: -95.723 Base-Backbone interact. energy: 2.662 local terms energy: -112.143979 where: bonds (distance) C4'-P energy: -17.902 bonds (distance) P-C4' energy: -23.852 flat angles C4'-P-C4' energy: -25.383 flat angles P-C4'-P energy: -17.427 tors. eta vs tors. theta energy: -27.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -207.108403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.108403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.108403 (E_RNA) where: Base-Base interactions energy: -117.210 where: short stacking energy: -57.333 Base-Backbone interact. energy: -1.265 local terms energy: -88.633650 where: bonds (distance) C4'-P energy: -24.500 bonds (distance) P-C4' energy: -24.166 flat angles C4'-P-C4' energy: -19.861 flat angles P-C4'-P energy: -13.874 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: 8, replica: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -154.364575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.364575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.364575 (E_RNA) where: Base-Base interactions energy: -69.065 where: short stacking energy: -46.533 Base-Backbone interact. energy: -0.596 local terms energy: -84.703830 where: bonds (distance) C4'-P energy: -23.367 bonds (distance) P-C4' energy: -26.851 flat angles C4'-P-C4' energy: -22.851 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -171.581342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.581342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.581342 (E_RNA) where: Base-Base interactions energy: -92.207 where: short stacking energy: -47.521 Base-Backbone interact. energy: -0.100 local terms energy: -79.274075 where: bonds (distance) C4'-P energy: -17.361 bonds (distance) P-C4' energy: -19.526 flat angles C4'-P-C4' energy: -21.674 flat angles P-C4'-P energy: -12.484 tors. eta vs tors. theta energy: -8.228 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: 5 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -111.630733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.630733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.630733 (E_RNA) where: Base-Base interactions energy: -46.752 where: short stacking energy: -35.285 Base-Backbone interact. energy: -0.582 local terms energy: -64.296774 where: bonds (distance) C4'-P energy: -14.624 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -22.055 flat angles P-C4'-P energy: -15.043 tors. eta vs tors. theta energy: 0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -421.477113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.477113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.477113 (E_RNA) where: Base-Base interactions energy: -300.133 where: short stacking energy: -119.376 Base-Backbone interact. energy: -0.300 local terms energy: -121.043706 where: bonds (distance) C4'-P energy: -21.925 bonds (distance) P-C4' energy: -22.796 flat angles C4'-P-C4' energy: -27.190 flat angles P-C4'-P energy: -12.619 tors. eta vs tors. theta energy: -36.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -407.433890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.433890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.433890 (E_RNA) where: Base-Base interactions energy: -293.927 where: short stacking energy: -119.890 Base-Backbone interact. energy: -0.591 local terms energy: -112.915932 where: bonds (distance) C4'-P energy: -19.658 bonds (distance) P-C4' energy: -19.480 flat angles C4'-P-C4' energy: -22.056 flat angles P-C4'-P energy: -15.803 tors. eta vs tors. theta energy: -35.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -378.090842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.090842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.090842 (E_RNA) where: Base-Base interactions energy: -261.847 where: short stacking energy: -116.461 Base-Backbone interact. energy: 0.003 local terms energy: -116.247051 where: bonds (distance) C4'-P energy: -22.711 bonds (distance) P-C4' energy: -22.895 flat angles C4'-P-C4' energy: -24.498 flat angles P-C4'-P energy: -12.059 tors. eta vs tors. theta energy: -34.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -369.973690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.973690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.973690 (E_RNA) where: Base-Base interactions energy: -250.051 where: short stacking energy: -116.493 Base-Backbone interact. energy: -0.760 local terms energy: -119.163117 where: bonds (distance) C4'-P energy: -19.434 bonds (distance) P-C4' energy: -23.076 flat angles C4'-P-C4' energy: -26.756 flat angles P-C4'-P energy: -17.294 tors. eta vs tors. theta energy: -32.601 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: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -348.227647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.227647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.227647 (E_RNA) where: Base-Base interactions energy: -230.017 where: short stacking energy: -113.324 Base-Backbone interact. energy: -0.186 local terms energy: -118.024202 where: bonds (distance) C4'-P energy: -20.517 bonds (distance) P-C4' energy: -19.925 flat angles C4'-P-C4' energy: -25.861 flat angles P-C4'-P energy: -17.425 tors. eta vs tors. theta energy: -34.296 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: 6, replica: 3 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -346.291973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.291973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.291973 (E_RNA) where: Base-Base interactions energy: -240.201 where: short stacking energy: -105.462 Base-Backbone interact. energy: -0.109 local terms energy: -105.981714 where: bonds (distance) C4'-P energy: -17.591 bonds (distance) P-C4' energy: -21.574 flat angles C4'-P-C4' energy: -18.947 flat angles P-C4'-P energy: -19.455 tors. eta vs tors. theta energy: -28.416 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: 7, replica: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -196.456972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.456972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.456972 (E_RNA) where: Base-Base interactions energy: -103.562 where: short stacking energy: -64.279 Base-Backbone interact. energy: 1.382 local terms energy: -94.276824 where: bonds (distance) C4'-P energy: -22.952 bonds (distance) P-C4' energy: -25.846 flat angles C4'-P-C4' energy: -25.655 flat angles P-C4'-P energy: -14.163 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -127.403820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.403820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.403820 (E_RNA) where: Base-Base interactions energy: -56.109 where: short stacking energy: -48.435 Base-Backbone interact. energy: -0.481 local terms energy: -70.814544 where: bonds (distance) C4'-P energy: -16.801 bonds (distance) P-C4' energy: -20.843 flat angles C4'-P-C4' energy: -17.211 flat angles P-C4'-P energy: -14.322 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -186.546057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.546057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.546057 (E_RNA) where: Base-Base interactions energy: -114.773 where: short stacking energy: -67.642 Base-Backbone interact. energy: -0.522 local terms energy: -71.251114 where: bonds (distance) C4'-P energy: -16.056 bonds (distance) P-C4' energy: -21.682 flat angles C4'-P-C4' energy: -16.917 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -10.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -114.507104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.507104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.507104 (E_RNA) where: Base-Base interactions energy: -39.087 where: short stacking energy: -25.776 Base-Backbone interact. energy: -0.764 local terms energy: -74.655985 where: bonds (distance) C4'-P energy: -21.150 bonds (distance) P-C4' energy: -21.957 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -11.574 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -413.691992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.691992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.691992 (E_RNA) where: Base-Base interactions energy: -297.086 where: short stacking energy: -119.443 Base-Backbone interact. energy: -0.675 local terms energy: -115.931227 where: bonds (distance) C4'-P energy: -22.222 bonds (distance) P-C4' energy: -24.423 flat angles C4'-P-C4' energy: -20.443 flat angles P-C4'-P energy: -14.232 tors. eta vs tors. theta energy: -34.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -393.646559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.646559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.646559 (E_RNA) where: Base-Base interactions energy: -269.043 where: short stacking energy: -108.222 Base-Backbone interact. energy: -0.065 local terms energy: -124.539066 where: bonds (distance) C4'-P energy: -17.062 bonds (distance) P-C4' energy: -27.180 flat angles C4'-P-C4' energy: -27.281 flat angles P-C4'-P energy: -17.028 tors. eta vs tors. theta energy: -35.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -390.144076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.144076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.144076 (E_RNA) where: Base-Base interactions energy: -273.832 where: short stacking energy: -105.598 Base-Backbone interact. energy: -0.889 local terms energy: -115.422593 where: bonds (distance) C4'-P energy: -24.749 bonds (distance) P-C4' energy: -22.664 flat angles C4'-P-C4' energy: -25.858 flat angles P-C4'-P energy: -12.322 tors. eta vs tors. theta energy: -29.829 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: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -370.619552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.619552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.619552 (E_RNA) where: Base-Base interactions energy: -261.470 where: short stacking energy: -110.596 Base-Backbone interact. energy: -0.477 local terms energy: -108.672628 where: bonds (distance) C4'-P energy: -15.459 bonds (distance) P-C4' energy: -22.929 flat angles C4'-P-C4' energy: -23.916 flat angles P-C4'-P energy: -15.655 tors. eta vs tors. theta energy: -30.713 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: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -341.246022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.246022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.246022 (E_RNA) where: Base-Base interactions energy: -228.473 where: short stacking energy: -115.694 Base-Backbone interact. energy: -0.005 local terms energy: -112.767403 where: bonds (distance) C4'-P energy: -21.080 bonds (distance) P-C4' energy: -27.051 flat angles C4'-P-C4' energy: -20.662 flat angles P-C4'-P energy: -13.608 tors. eta vs tors. theta energy: -30.367 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: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -345.237234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.237234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.237234 (E_RNA) where: Base-Base interactions energy: -245.081 where: short stacking energy: -103.864 Base-Backbone interact. energy: 0.641 local terms energy: -100.798123 where: bonds (distance) C4'-P energy: -17.930 bonds (distance) P-C4' energy: -22.672 flat angles C4'-P-C4' energy: -25.250 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -24.336 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: 447 Temperature: 1.200000 Total energy: -213.913056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.913056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.913056 (E_RNA) where: Base-Base interactions energy: -123.722 where: short stacking energy: -54.800 Base-Backbone interact. energy: -0.359 local terms energy: -89.832295 where: bonds (distance) C4'-P energy: -25.043 bonds (distance) P-C4' energy: -27.633 flat angles C4'-P-C4' energy: -19.436 flat angles P-C4'-P energy: -13.716 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: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -194.708834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.708834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.708834 (E_RNA) where: Base-Base interactions energy: -111.400 where: short stacking energy: -60.602 Base-Backbone interact. energy: -0.413 local terms energy: -82.895638 where: bonds (distance) C4'-P energy: -19.618 bonds (distance) P-C4' energy: -23.416 flat angles C4'-P-C4' energy: -20.353 flat angles P-C4'-P energy: -16.592 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -140.830935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.830935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.830935 (E_RNA) where: Base-Base interactions energy: -52.749 where: short stacking energy: -46.047 Base-Backbone interact. energy: -0.498 local terms energy: -87.583634 where: bonds (distance) C4'-P energy: -21.687 bonds (distance) P-C4' energy: -24.233 flat angles C4'-P-C4' energy: -20.384 flat angles P-C4'-P energy: -15.982 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -131.057452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.057452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.057452 (E_RNA) where: Base-Base interactions energy: -58.102 where: short stacking energy: -36.263 Base-Backbone interact. energy: -0.013 local terms energy: -72.942720 where: bonds (distance) C4'-P energy: -16.098 bonds (distance) P-C4' energy: -20.287 flat angles C4'-P-C4' energy: -21.432 flat angles P-C4'-P energy: -12.628 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -413.573335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.573335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.573335 (E_RNA) where: Base-Base interactions energy: -279.028 where: short stacking energy: -127.183 Base-Backbone interact. energy: -1.387 local terms energy: -133.158264 where: bonds (distance) C4'-P energy: -21.131 bonds (distance) P-C4' energy: -26.405 flat angles C4'-P-C4' energy: -26.377 flat angles P-C4'-P energy: -20.837 tors. eta vs tors. theta energy: -38.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -404.784208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.784208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.784208 (E_RNA) where: Base-Base interactions energy: -286.517 where: short stacking energy: -116.706 Base-Backbone interact. energy: -0.098 local terms energy: -118.169395 where: bonds (distance) C4'-P energy: -18.634 bonds (distance) P-C4' energy: -26.747 flat angles C4'-P-C4' energy: -21.362 flat angles P-C4'-P energy: -13.923 tors. eta vs tors. theta energy: -37.504 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: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -375.735359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.735359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.735359 (E_RNA) where: Base-Base interactions energy: -248.760 where: short stacking energy: -109.247 Base-Backbone interact. energy: -0.087 local terms energy: -126.888890 where: bonds (distance) C4'-P energy: -27.197 bonds (distance) P-C4' energy: -19.357 flat angles C4'-P-C4' energy: -27.911 flat angles P-C4'-P energy: -20.707 tors. eta vs tors. theta energy: -31.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -375.895161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.895161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.895161 (E_RNA) where: Base-Base interactions energy: -262.669 where: short stacking energy: -108.207 Base-Backbone interact. energy: -0.080 local terms energy: -113.145941 where: bonds (distance) C4'-P energy: -25.764 bonds (distance) P-C4' energy: -17.962 flat angles C4'-P-C4' energy: -25.283 flat angles P-C4'-P energy: -13.920 tors. eta vs tors. theta energy: -30.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -342.233085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.233085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.233085 (E_RNA) where: Base-Base interactions energy: -229.283 where: short stacking energy: -103.224 Base-Backbone interact. energy: -0.856 local terms energy: -112.094478 where: bonds (distance) C4'-P energy: -17.377 bonds (distance) P-C4' energy: -23.688 flat angles C4'-P-C4' energy: -22.679 flat angles P-C4'-P energy: -18.664 tors. eta vs tors. theta energy: -29.687 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: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -328.188431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.188431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.188431 (E_RNA) where: Base-Base interactions energy: -216.719 where: short stacking energy: -101.503 Base-Backbone interact. energy: -0.901 local terms energy: -110.568061 where: bonds (distance) C4'-P energy: -24.068 bonds (distance) P-C4' energy: -22.238 flat angles C4'-P-C4' energy: -23.753 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -28.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -206.035278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.035278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.035278 (E_RNA) where: Base-Base interactions energy: -120.021 where: short stacking energy: -61.309 Base-Backbone interact. energy: -0.776 local terms energy: -85.238603 where: bonds (distance) C4'-P energy: -20.219 bonds (distance) P-C4' energy: -27.148 flat angles C4'-P-C4' energy: -21.602 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -7.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -202.648425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.648425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.648425 (E_RNA) where: Base-Base interactions energy: -115.580 where: short stacking energy: -70.096 Base-Backbone interact. energy: -0.332 local terms energy: -86.736989 where: bonds (distance) C4'-P energy: -17.012 bonds (distance) P-C4' energy: -17.544 flat angles C4'-P-C4' energy: -23.010 flat angles P-C4'-P energy: -18.268 tors. eta vs tors. theta energy: -10.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -143.693744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.693744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.693744 (E_RNA) where: Base-Base interactions energy: -55.885 where: short stacking energy: -36.998 Base-Backbone interact. energy: 1.888 local terms energy: -89.697515 where: bonds (distance) C4'-P energy: -27.229 bonds (distance) P-C4' energy: -22.435 flat angles C4'-P-C4' energy: -16.008 flat angles P-C4'-P energy: -13.916 tors. eta vs tors. theta energy: -10.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -125.226149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.226149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.226149 (E_RNA) where: Base-Base interactions energy: -51.509 where: short stacking energy: -51.239 Base-Backbone interact. energy: -0.128 local terms energy: -73.589350 where: bonds (distance) C4'-P energy: -19.755 bonds (distance) P-C4' energy: -24.407 flat angles C4'-P-C4' energy: -12.071 flat angles P-C4'-P energy: -10.558 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -407.746217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.746217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.746217 (E_RNA) where: Base-Base interactions energy: -277.846 where: short stacking energy: -122.622 Base-Backbone interact. energy: -1.253 local terms energy: -128.647296 where: bonds (distance) C4'-P energy: -22.894 bonds (distance) P-C4' energy: -28.598 flat angles C4'-P-C4' energy: -25.421 flat angles P-C4'-P energy: -13.271 tors. eta vs tors. theta energy: -38.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -398.083822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.083822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.083822 (E_RNA) where: Base-Base interactions energy: -275.502 where: short stacking energy: -116.304 Base-Backbone interact. energy: -0.006 local terms energy: -122.575554 where: bonds (distance) C4'-P energy: -22.459 bonds (distance) P-C4' energy: -21.559 flat angles C4'-P-C4' energy: -26.799 flat angles P-C4'-P energy: -19.076 tors. eta vs tors. theta energy: -32.682 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: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -354.759218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.759218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.759218 (E_RNA) where: Base-Base interactions energy: -244.727 where: short stacking energy: -110.024 Base-Backbone interact. energy: -1.686 local terms energy: -108.345942 where: bonds (distance) C4'-P energy: -23.513 bonds (distance) P-C4' energy: -19.277 flat angles C4'-P-C4' energy: -18.907 flat angles P-C4'-P energy: -14.280 tors. eta vs tors. theta energy: -32.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -371.258485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.258485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.258485 (E_RNA) where: Base-Base interactions energy: -245.676 where: short stacking energy: -100.416 Base-Backbone interact. energy: -0.299 local terms energy: -125.283611 where: bonds (distance) C4'-P energy: -27.722 bonds (distance) P-C4' energy: -28.965 flat angles C4'-P-C4' energy: -22.469 flat angles P-C4'-P energy: -15.512 tors. eta vs tors. theta energy: -30.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -377.144046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.144046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.144046 (E_RNA) where: Base-Base interactions energy: -265.975 where: short stacking energy: -106.557 Base-Backbone interact. energy: -0.152 local terms energy: -111.016902 where: bonds (distance) C4'-P energy: -21.897 bonds (distance) P-C4' energy: -23.534 flat angles C4'-P-C4' energy: -24.275 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -32.770 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: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -207.877373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.877373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.877373 (E_RNA) where: Base-Base interactions energy: -117.346 where: short stacking energy: -65.108 Base-Backbone interact. energy: -0.110 local terms energy: -90.421317 where: bonds (distance) C4'-P energy: -20.840 bonds (distance) P-C4' energy: -25.369 flat angles C4'-P-C4' energy: -26.490 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -13.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -319.341726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.341726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.341726 (E_RNA) where: Base-Base interactions energy: -214.920 where: short stacking energy: -100.748 Base-Backbone interact. energy: -0.876 local terms energy: -103.546397 where: bonds (distance) C4'-P energy: -19.378 bonds (distance) P-C4' energy: -17.851 flat angles C4'-P-C4' energy: -21.167 flat angles P-C4'-P energy: -14.191 tors. eta vs tors. theta energy: -30.959 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: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -229.888964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.888964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.888964 (E_RNA) where: Base-Base interactions energy: -138.594 where: short stacking energy: -55.793 Base-Backbone interact. energy: -0.718 local terms energy: -90.576817 where: bonds (distance) C4'-P energy: -22.272 bonds (distance) P-C4' energy: -26.965 flat angles C4'-P-C4' energy: -17.566 flat angles P-C4'-P energy: -18.310 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -125.293005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.293005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.293005 (E_RNA) where: Base-Base interactions energy: -58.755 where: short stacking energy: -42.785 Base-Backbone interact. energy: -0.329 local terms energy: -66.208212 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -20.948 flat angles C4'-P-C4' energy: -25.180 flat angles P-C4'-P energy: -11.148 tors. eta vs tors. theta energy: 2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -123.134982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.134982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.134982 (E_RNA) where: Base-Base interactions energy: -52.216 where: short stacking energy: -49.176 Base-Backbone interact. energy: -0.297 local terms energy: -70.621737 where: bonds (distance) C4'-P energy: -19.173 bonds (distance) P-C4' energy: -23.534 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -8.799 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: 1, replica: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -406.498882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.498882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.498882 (E_RNA) where: Base-Base interactions energy: -287.275 where: short stacking energy: -124.122 Base-Backbone interact. energy: -0.348 local terms energy: -118.875720 where: bonds (distance) C4'-P energy: -21.719 bonds (distance) P-C4' energy: -22.525 flat angles C4'-P-C4' energy: -22.146 flat angles P-C4'-P energy: -14.808 tors. eta vs tors. theta energy: -37.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -379.184441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.184441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.184441 (E_RNA) where: Base-Base interactions energy: -257.892 where: short stacking energy: -121.536 Base-Backbone interact. energy: 0.599 local terms energy: -121.892085 where: bonds (distance) C4'-P energy: -20.542 bonds (distance) P-C4' energy: -25.428 flat angles C4'-P-C4' energy: -26.795 flat angles P-C4'-P energy: -14.534 tors. eta vs tors. theta energy: -34.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -392.218065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.218065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.218065 (E_RNA) where: Base-Base interactions energy: -277.282 where: short stacking energy: -116.496 Base-Backbone interact. energy: -0.028 local terms energy: -114.908163 where: bonds (distance) C4'-P energy: -18.730 bonds (distance) P-C4' energy: -23.512 flat angles C4'-P-C4' energy: -26.176 flat angles P-C4'-P energy: -12.184 tors. eta vs tors. theta energy: -34.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -341.199771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.199771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.199771 (E_RNA) where: Base-Base interactions energy: -236.131 where: short stacking energy: -91.492 Base-Backbone interact. energy: -0.372 local terms energy: -104.696242 where: bonds (distance) C4'-P energy: -24.547 bonds (distance) P-C4' energy: -19.007 flat angles C4'-P-C4' energy: -18.793 flat angles P-C4'-P energy: -12.772 tors. eta vs tors. theta energy: -29.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -357.428099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.428099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.428099 (E_RNA) where: Base-Base interactions energy: -254.615 where: short stacking energy: -113.733 Base-Backbone interact. energy: -0.011 local terms energy: -102.801847 where: bonds (distance) C4'-P energy: -22.182 bonds (distance) P-C4' energy: -13.231 flat angles C4'-P-C4' energy: -21.439 flat angles P-C4'-P energy: -14.773 tors. eta vs tors. theta energy: -31.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -225.208154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.208154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.208154 (E_RNA) where: Base-Base interactions energy: -128.798 where: short stacking energy: -73.624 Base-Backbone interact. energy: -1.667 local terms energy: -94.743153 where: bonds (distance) C4'-P energy: -19.608 bonds (distance) P-C4' energy: -21.115 flat angles C4'-P-C4' energy: -24.098 flat angles P-C4'-P energy: -14.325 tors. eta vs tors. theta energy: -15.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -318.297467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.297467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.297467 (E_RNA) where: Base-Base interactions energy: -209.668 where: short stacking energy: -100.983 Base-Backbone interact. energy: -0.657 local terms energy: -107.972556 where: bonds (distance) C4'-P energy: -20.930 bonds (distance) P-C4' energy: -24.101 flat angles C4'-P-C4' energy: -22.351 flat angles P-C4'-P energy: -14.590 tors. eta vs tors. theta energy: -26.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -255.642009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.642009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.642009 (E_RNA) where: Base-Base interactions energy: -155.448 where: short stacking energy: -69.634 Base-Backbone interact. energy: -0.775 local terms energy: -99.419320 where: bonds (distance) C4'-P energy: -20.111 bonds (distance) P-C4' energy: -25.797 flat angles C4'-P-C4' energy: -22.883 flat angles P-C4'-P energy: -16.044 tors. eta vs tors. theta energy: -14.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -124.089900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.089900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.089900 (E_RNA) where: Base-Base interactions energy: -37.427 where: short stacking energy: -34.036 Base-Backbone interact. energy: -0.724 local terms energy: -85.938926 where: bonds (distance) C4'-P energy: -23.325 bonds (distance) P-C4' energy: -24.139 flat angles C4'-P-C4' energy: -20.356 flat angles P-C4'-P energy: -11.191 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: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -116.007064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.007064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.007064 (E_RNA) where: Base-Base interactions energy: -48.410 where: short stacking energy: -43.578 Base-Backbone interact. energy: -0.212 local terms energy: -67.385213 where: bonds (distance) C4'-P energy: -12.594 bonds (distance) P-C4' energy: -21.223 flat angles C4'-P-C4' energy: -17.039 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -413.560604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.560604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.560604 (E_RNA) where: Base-Base interactions energy: -290.128 where: short stacking energy: -130.671 Base-Backbone interact. energy: -1.061 local terms energy: -122.372556 where: bonds (distance) C4'-P energy: -24.060 bonds (distance) P-C4' energy: -21.924 flat angles C4'-P-C4' energy: -23.625 flat angles P-C4'-P energy: -13.655 tors. eta vs tors. theta energy: -39.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -402.822143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.822143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.822143 (E_RNA) where: Base-Base interactions energy: -284.139 where: short stacking energy: -119.734 Base-Backbone interact. energy: -1.019 local terms energy: -117.664305 where: bonds (distance) C4'-P energy: -25.710 bonds (distance) P-C4' energy: -24.112 flat angles C4'-P-C4' energy: -26.082 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -33.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -397.118229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.118229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.118229 (E_RNA) where: Base-Base interactions energy: -269.490 where: short stacking energy: -123.228 Base-Backbone interact. energy: -0.731 local terms energy: -126.897258 where: bonds (distance) C4'-P energy: -26.683 bonds (distance) P-C4' energy: -19.368 flat angles C4'-P-C4' energy: -23.195 flat angles P-C4'-P energy: -20.875 tors. eta vs tors. theta energy: -36.776 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: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -382.047277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.047277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.047277 (E_RNA) where: Base-Base interactions energy: -260.376 where: short stacking energy: -113.658 Base-Backbone interact. energy: -0.164 local terms energy: -121.507785 where: bonds (distance) C4'-P energy: -21.665 bonds (distance) P-C4' energy: -26.831 flat angles C4'-P-C4' energy: -19.523 flat angles P-C4'-P energy: -15.638 tors. eta vs tors. theta energy: -37.850 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: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -352.626830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.626830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.626830 (E_RNA) where: Base-Base interactions energy: -240.862 where: short stacking energy: -97.317 Base-Backbone interact. energy: -1.071 local terms energy: -110.693761 where: bonds (distance) C4'-P energy: -19.357 bonds (distance) P-C4' energy: -24.882 flat angles C4'-P-C4' energy: -28.875 flat angles P-C4'-P energy: -12.443 tors. eta vs tors. theta energy: -25.137 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: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -316.576953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.576953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.576953 (E_RNA) where: Base-Base interactions energy: -213.176 where: short stacking energy: -101.411 Base-Backbone interact. energy: -0.025 local terms energy: -103.375943 where: bonds (distance) C4'-P energy: -22.086 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -21.374 flat angles P-C4'-P energy: -16.200 tors. eta vs tors. theta energy: -26.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -240.868549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.868549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.868549 (E_RNA) where: Base-Base interactions energy: -162.139 where: short stacking energy: -80.436 Base-Backbone interact. energy: 1.169 local terms energy: -79.898599 where: bonds (distance) C4'-P energy: -23.501 bonds (distance) P-C4' energy: -25.381 flat angles C4'-P-C4' energy: -10.875 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -16.946 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: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -231.410630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.410630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.410630 (E_RNA) where: Base-Base interactions energy: -146.635 where: short stacking energy: -77.643 Base-Backbone interact. energy: -0.069 local terms energy: -84.705983 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -25.697 flat angles C4'-P-C4' energy: -24.139 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -16.619 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: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -135.823412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.823412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.823412 (E_RNA) where: Base-Base interactions energy: -63.344 where: short stacking energy: -58.883 Base-Backbone interact. energy: -0.251 local terms energy: -72.228302 where: bonds (distance) C4'-P energy: -22.845 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -16.474 flat angles P-C4'-P energy: -12.562 tors. eta vs tors. theta energy: -8.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -121.387025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.387025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.387025 (E_RNA) where: Base-Base interactions energy: -54.461 where: short stacking energy: -47.641 Base-Backbone interact. energy: -0.158 local terms energy: -66.767821 where: bonds (distance) C4'-P energy: -15.848 bonds (distance) P-C4' energy: -21.315 flat angles C4'-P-C4' energy: -17.252 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -417.632862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.632862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.632862 (E_RNA) where: Base-Base interactions energy: -293.434 where: short stacking energy: -126.806 Base-Backbone interact. energy: 0.177 local terms energy: -124.375442 where: bonds (distance) C4'-P energy: -22.816 bonds (distance) P-C4' energy: -27.522 flat angles C4'-P-C4' energy: -20.641 flat angles P-C4'-P energy: -21.164 tors. eta vs tors. theta energy: -32.233 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: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -400.390654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.390654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.390654 (E_RNA) where: Base-Base interactions energy: -278.329 where: short stacking energy: -121.222 Base-Backbone interact. energy: -0.003 local terms energy: -122.058151 where: bonds (distance) C4'-P energy: -23.802 bonds (distance) P-C4' energy: -21.298 flat angles C4'-P-C4' energy: -24.518 flat angles P-C4'-P energy: -13.458 tors. eta vs tors. theta energy: -38.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -406.061994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.061994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.061994 (E_RNA) where: Base-Base interactions energy: -275.434 where: short stacking energy: -120.808 Base-Backbone interact. energy: -2.097 local terms energy: -128.531133 where: bonds (distance) C4'-P energy: -22.074 bonds (distance) P-C4' energy: -21.891 flat angles C4'-P-C4' energy: -26.325 flat angles P-C4'-P energy: -19.455 tors. eta vs tors. theta energy: -38.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -378.352801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.352801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.352801 (E_RNA) where: Base-Base interactions energy: -256.089 where: short stacking energy: -107.655 Base-Backbone interact. energy: -0.222 local terms energy: -122.041699 where: bonds (distance) C4'-P energy: -22.432 bonds (distance) P-C4' energy: -20.514 flat angles C4'-P-C4' energy: -27.640 flat angles P-C4'-P energy: -18.240 tors. eta vs tors. theta energy: -33.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -349.347937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.347937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.347937 (E_RNA) where: Base-Base interactions energy: -232.811 where: short stacking energy: -101.050 Base-Backbone interact. energy: 0.507 local terms energy: -117.043906 where: bonds (distance) C4'-P energy: -23.052 bonds (distance) P-C4' energy: -21.426 flat angles C4'-P-C4' energy: -22.720 flat angles P-C4'-P energy: -17.723 tors. eta vs tors. theta energy: -32.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -327.041077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.041077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.041077 (E_RNA) where: Base-Base interactions energy: -216.109 where: short stacking energy: -106.510 Base-Backbone interact. energy: 1.546 local terms energy: -112.477704 where: bonds (distance) C4'-P energy: -21.985 bonds (distance) P-C4' energy: -22.718 flat angles C4'-P-C4' energy: -23.543 flat angles P-C4'-P energy: -17.097 tors. eta vs tors. theta energy: -27.134 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: 452 Temperature: 1.200000 Total energy: -255.122180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.122180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.122180 (E_RNA) where: Base-Base interactions energy: -155.964 where: short stacking energy: -71.490 Base-Backbone interact. energy: -0.314 local terms energy: -98.844205 where: bonds (distance) C4'-P energy: -20.560 bonds (distance) P-C4' energy: -23.059 flat angles C4'-P-C4' energy: -23.822 flat angles P-C4'-P energy: -11.512 tors. eta vs tors. theta energy: -19.891 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: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -211.210428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.210428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.210428 (E_RNA) where: Base-Base interactions energy: -111.369 where: short stacking energy: -57.134 Base-Backbone interact. energy: 1.870 local terms energy: -101.711810 where: bonds (distance) C4'-P energy: -21.274 bonds (distance) P-C4' energy: -28.088 flat angles C4'-P-C4' energy: -23.522 flat angles P-C4'-P energy: -14.119 tors. eta vs tors. theta energy: -14.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -121.595014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.595014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.595014 (E_RNA) where: Base-Base interactions energy: -38.783 where: short stacking energy: -39.083 Base-Backbone interact. energy: -0.977 local terms energy: -81.834965 where: bonds (distance) C4'-P energy: -25.877 bonds (distance) P-C4' energy: -22.037 flat angles C4'-P-C4' energy: -21.986 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -131.065013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.065013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.065013 (E_RNA) where: Base-Base interactions energy: -53.485 where: short stacking energy: -51.840 Base-Backbone interact. energy: -0.160 local terms energy: -77.420069 where: bonds (distance) C4'-P energy: -22.871 bonds (distance) P-C4' energy: -19.825 flat angles C4'-P-C4' energy: -18.478 flat angles P-C4'-P energy: -10.812 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: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -419.744612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.744612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.744612 (E_RNA) where: Base-Base interactions energy: -302.690 where: short stacking energy: -133.260 Base-Backbone interact. energy: -0.397 local terms energy: -116.658372 where: bonds (distance) C4'-P energy: -21.648 bonds (distance) P-C4' energy: -21.763 flat angles C4'-P-C4' energy: -21.845 flat angles P-C4'-P energy: -17.186 tors. eta vs tors. theta energy: -34.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -400.447241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.447241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.447241 (E_RNA) where: Base-Base interactions energy: -275.029 where: short stacking energy: -119.319 Base-Backbone interact. energy: -0.043 local terms energy: -125.375091 where: bonds (distance) C4'-P energy: -21.758 bonds (distance) P-C4' energy: -24.148 flat angles C4'-P-C4' energy: -28.564 flat angles P-C4'-P energy: -15.604 tors. eta vs tors. theta energy: -35.302 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -372.020672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.020672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.020672 (E_RNA) where: Base-Base interactions energy: -254.189 where: short stacking energy: -106.649 Base-Backbone interact. energy: -0.255 local terms energy: -117.576679 where: bonds (distance) C4'-P energy: -24.028 bonds (distance) P-C4' energy: -21.113 flat angles C4'-P-C4' energy: -24.555 flat angles P-C4'-P energy: -15.914 tors. eta vs tors. theta energy: -31.966 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: 4, replica: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -343.239562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.239562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.239562 (E_RNA) where: Base-Base interactions energy: -239.815 where: short stacking energy: -99.185 Base-Backbone interact. energy: 2.734 local terms energy: -106.158571 where: bonds (distance) C4'-P energy: -22.198 bonds (distance) P-C4' energy: -18.562 flat angles C4'-P-C4' energy: -26.441 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -28.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -350.083444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.083444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.083444 (E_RNA) where: Base-Base interactions energy: -231.805 where: short stacking energy: -102.538 Base-Backbone interact. energy: -1.480 local terms energy: -116.798187 where: bonds (distance) C4'-P energy: -21.048 bonds (distance) P-C4' energy: -24.594 flat angles C4'-P-C4' energy: -24.020 flat angles P-C4'-P energy: -15.835 tors. eta vs tors. theta energy: -31.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -326.607616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.607616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.607616 (E_RNA) where: Base-Base interactions energy: -222.757 where: short stacking energy: -107.050 Base-Backbone interact. energy: -1.113 local terms energy: -102.738155 where: bonds (distance) C4'-P energy: -21.603 bonds (distance) P-C4' energy: -18.816 flat angles C4'-P-C4' energy: -21.715 flat angles P-C4'-P energy: -13.242 tors. eta vs tors. theta energy: -27.362 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: 453 Temperature: 1.200000 Total energy: -246.822555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.822555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.822555 (E_RNA) where: Base-Base interactions energy: -163.897 where: short stacking energy: -80.746 Base-Backbone interact. energy: -0.971 local terms energy: -81.954886 where: bonds (distance) C4'-P energy: -18.820 bonds (distance) P-C4' energy: -18.338 flat angles C4'-P-C4' energy: -19.567 flat angles P-C4'-P energy: -11.887 tors. eta vs tors. theta energy: -13.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -201.655638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.655638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.655638 (E_RNA) where: Base-Base interactions energy: -116.494 where: short stacking energy: -66.993 Base-Backbone interact. energy: -1.768 local terms energy: -83.393459 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -18.274 flat angles C4'-P-C4' energy: -28.124 flat angles P-C4'-P energy: -14.427 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -139.045855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.045855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.045855 (E_RNA) where: Base-Base interactions energy: -53.686 where: short stacking energy: -53.686 Base-Backbone interact. energy: -0.236 local terms energy: -85.123270 where: bonds (distance) C4'-P energy: -21.834 bonds (distance) P-C4' energy: -21.478 flat angles C4'-P-C4' energy: -20.996 flat angles P-C4'-P energy: -12.190 tors. eta vs tors. theta energy: -8.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -123.432808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.432808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.432808 (E_RNA) where: Base-Base interactions energy: -53.374 where: short stacking energy: -40.883 Base-Backbone interact. energy: -0.087 local terms energy: -69.972348 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -23.189 flat angles C4'-P-C4' energy: -10.854 flat angles P-C4'-P energy: -15.492 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: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -406.531053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.531053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.531053 (E_RNA) where: Base-Base interactions energy: -277.239 where: short stacking energy: -124.606 Base-Backbone interact. energy: -0.435 local terms energy: -128.856956 where: bonds (distance) C4'-P energy: -22.435 bonds (distance) P-C4' energy: -21.934 flat angles C4'-P-C4' energy: -26.701 flat angles P-C4'-P energy: -18.957 tors. eta vs tors. theta energy: -38.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -404.796716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.796716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.796716 (E_RNA) where: Base-Base interactions energy: -275.030 where: short stacking energy: -121.195 Base-Backbone interact. energy: -1.732 local terms energy: -128.034210 where: bonds (distance) C4'-P energy: -23.022 bonds (distance) P-C4' energy: -25.075 flat angles C4'-P-C4' energy: -22.588 flat angles P-C4'-P energy: -22.487 tors. eta vs tors. theta energy: -34.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -357.639514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.639514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.639514 (E_RNA) where: Base-Base interactions energy: -237.283 where: short stacking energy: -105.692 Base-Backbone interact. energy: 0.343 local terms energy: -120.699017 where: bonds (distance) C4'-P energy: -23.741 bonds (distance) P-C4' energy: -24.474 flat angles C4'-P-C4' energy: -25.178 flat angles P-C4'-P energy: -18.650 tors. eta vs tors. theta energy: -28.656 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: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -353.694022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.694022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.694022 (E_RNA) where: Base-Base interactions energy: -233.167 where: short stacking energy: -103.542 Base-Backbone interact. energy: -0.823 local terms energy: -119.703358 where: bonds (distance) C4'-P energy: -22.165 bonds (distance) P-C4' energy: -22.459 flat angles C4'-P-C4' energy: -26.376 flat angles P-C4'-P energy: -16.990 tors. eta vs tors. theta energy: -31.713 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: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -341.229928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.229928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.229928 (E_RNA) where: Base-Base interactions energy: -242.303 where: short stacking energy: -96.111 Base-Backbone interact. energy: -0.200 local terms energy: -98.726788 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -19.171 flat angles C4'-P-C4' energy: -24.816 flat angles P-C4'-P energy: -16.233 tors. eta vs tors. theta energy: -25.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -325.665123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.665123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.665123 (E_RNA) where: Base-Base interactions energy: -212.329 where: short stacking energy: -100.014 Base-Backbone interact. energy: 0.019 local terms energy: -113.355807 where: bonds (distance) C4'-P energy: -22.740 bonds (distance) P-C4' energy: -20.369 flat angles C4'-P-C4' energy: -23.896 flat angles P-C4'-P energy: -20.340 tors. eta vs tors. theta energy: -26.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -258.159337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.159337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.159337 (E_RNA) where: Base-Base interactions energy: -166.767 where: short stacking energy: -94.615 Base-Backbone interact. energy: -0.074 local terms energy: -91.318225 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -20.645 flat angles C4'-P-C4' energy: -21.724 flat angles P-C4'-P energy: -12.499 tors. eta vs tors. theta energy: -21.225 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: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -224.080944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.080944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.080944 (E_RNA) where: Base-Base interactions energy: -131.005 where: short stacking energy: -60.934 Base-Backbone interact. energy: -1.053 local terms energy: -92.023601 where: bonds (distance) C4'-P energy: -19.279 bonds (distance) P-C4' energy: -24.961 flat angles C4'-P-C4' energy: -21.509 flat angles P-C4'-P energy: -16.654 tors. eta vs tors. theta energy: -9.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -137.938585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.938585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.938585 (E_RNA) where: Base-Base interactions energy: -74.331 where: short stacking energy: -50.368 Base-Backbone interact. energy: 0.043 local terms energy: -63.650708 where: bonds (distance) C4'-P energy: -16.913 bonds (distance) P-C4' energy: -21.514 flat angles C4'-P-C4' energy: -12.245 flat angles P-C4'-P energy: -10.423 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: 454 Temperature: 1.350000 Total energy: -120.503683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.503683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.503683 (E_RNA) where: Base-Base interactions energy: -45.515 where: short stacking energy: -47.315 Base-Backbone interact. energy: -0.344 local terms energy: -74.645398 where: bonds (distance) C4'-P energy: -17.401 bonds (distance) P-C4' energy: -22.381 flat angles C4'-P-C4' energy: -15.810 flat angles P-C4'-P energy: -18.202 tors. eta vs tors. theta energy: -0.852 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: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -405.588319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.588319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.588319 (E_RNA) where: Base-Base interactions energy: -279.254 where: short stacking energy: -125.841 Base-Backbone interact. energy: -1.793 local terms energy: -124.541564 where: bonds (distance) C4'-P energy: -22.584 bonds (distance) P-C4' energy: -20.225 flat angles C4'-P-C4' energy: -26.775 flat angles P-C4'-P energy: -17.001 tors. eta vs tors. theta energy: -37.957 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: 455 Temperature: 0.950000 Total energy: -397.948939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.948939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.948939 (E_RNA) where: Base-Base interactions energy: -272.919 where: short stacking energy: -126.673 Base-Backbone interact. energy: -0.085 local terms energy: -124.945209 where: bonds (distance) C4'-P energy: -25.934 bonds (distance) P-C4' energy: -20.058 flat angles C4'-P-C4' energy: -22.949 flat angles P-C4'-P energy: -18.160 tors. eta vs tors. theta energy: -37.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -367.140492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.140492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.140492 (E_RNA) where: Base-Base interactions energy: -250.446 where: short stacking energy: -121.434 Base-Backbone interact. energy: -0.298 local terms energy: -116.396719 where: bonds (distance) C4'-P energy: -21.222 bonds (distance) P-C4' energy: -16.793 flat angles C4'-P-C4' energy: -26.322 flat angles P-C4'-P energy: -19.937 tors. eta vs tors. theta energy: -32.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -343.230197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.230197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.230197 (E_RNA) where: Base-Base interactions energy: -227.475 where: short stacking energy: -108.582 Base-Backbone interact. energy: -1.341 local terms energy: -114.413785 where: bonds (distance) C4'-P energy: -21.207 bonds (distance) P-C4' energy: -25.600 flat angles C4'-P-C4' energy: -25.096 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -29.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -340.817177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.817177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.817177 (E_RNA) where: Base-Base interactions energy: -233.285 where: short stacking energy: -97.839 Base-Backbone interact. energy: -0.248 local terms energy: -107.284008 where: bonds (distance) C4'-P energy: -21.123 bonds (distance) P-C4' energy: -17.531 flat angles C4'-P-C4' energy: -26.187 flat angles P-C4'-P energy: -18.509 tors. eta vs tors. theta energy: -23.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -307.087576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.087576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.087576 (E_RNA) where: Base-Base interactions energy: -189.645 where: short stacking energy: -103.968 Base-Backbone interact. energy: -0.695 local terms energy: -116.747637 where: bonds (distance) C4'-P energy: -25.708 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -25.179 flat angles P-C4'-P energy: -17.304 tors. eta vs tors. theta energy: -29.301 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: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -248.069378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.069378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.069378 (E_RNA) where: Base-Base interactions energy: -152.553 where: short stacking energy: -71.937 Base-Backbone interact. energy: -0.767 local terms energy: -94.749578 where: bonds (distance) C4'-P energy: -16.665 bonds (distance) P-C4' energy: -24.577 flat angles C4'-P-C4' energy: -23.058 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -20.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -234.133933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.133933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.133933 (E_RNA) where: Base-Base interactions energy: -140.370 where: short stacking energy: -70.606 Base-Backbone interact. energy: 0.962 local terms energy: -94.725103 where: bonds (distance) C4'-P energy: -22.733 bonds (distance) P-C4' energy: -19.443 flat angles C4'-P-C4' energy: -26.205 flat angles P-C4'-P energy: -13.444 tors. eta vs tors. theta energy: -12.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -132.319557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.319557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.319557 (E_RNA) where: Base-Base interactions energy: -52.740 where: short stacking energy: -47.880 Base-Backbone interact. energy: -0.245 local terms energy: -79.334952 where: bonds (distance) C4'-P energy: -19.979 bonds (distance) P-C4' energy: -15.063 flat angles C4'-P-C4' energy: -22.660 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -10.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -114.415696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.415696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.415696 (E_RNA) where: Base-Base interactions energy: -37.016 where: short stacking energy: -33.834 Base-Backbone interact. energy: 1.151 local terms energy: -78.550823 where: bonds (distance) C4'-P energy: -25.344 bonds (distance) P-C4' energy: -23.014 flat angles C4'-P-C4' energy: -20.592 flat angles P-C4'-P energy: -10.048 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: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -411.808882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.808882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.808882 (E_RNA) where: Base-Base interactions energy: -270.694 where: short stacking energy: -128.479 Base-Backbone interact. energy: -0.241 local terms energy: -140.874166 where: bonds (distance) C4'-P energy: -26.315 bonds (distance) P-C4' energy: -28.887 flat angles C4'-P-C4' energy: -29.693 flat angles P-C4'-P energy: -17.688 tors. eta vs tors. theta energy: -38.291 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: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -410.492555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.492555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.492555 (E_RNA) where: Base-Base interactions energy: -283.333 where: short stacking energy: -127.450 Base-Backbone interact. energy: -1.806 local terms energy: -125.352932 where: bonds (distance) C4'-P energy: -15.522 bonds (distance) P-C4' energy: -26.019 flat angles C4'-P-C4' energy: -22.918 flat angles P-C4'-P energy: -22.036 tors. eta vs tors. theta energy: -38.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -379.252939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.252939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.252939 (E_RNA) where: Base-Base interactions energy: -267.119 where: short stacking energy: -121.823 Base-Backbone interact. energy: -0.809 local terms energy: -111.324520 where: bonds (distance) C4'-P energy: -15.533 bonds (distance) P-C4' energy: -21.812 flat angles C4'-P-C4' energy: -23.345 flat angles P-C4'-P energy: -14.209 tors. eta vs tors. theta energy: -36.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -360.825541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.825541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.825541 (E_RNA) where: Base-Base interactions energy: -247.372 where: short stacking energy: -109.255 Base-Backbone interact. energy: -0.688 local terms energy: -112.764652 where: bonds (distance) C4'-P energy: -20.627 bonds (distance) P-C4' energy: -20.207 flat angles C4'-P-C4' energy: -26.233 flat angles P-C4'-P energy: -12.346 tors. eta vs tors. theta energy: -33.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -350.495085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.495085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.495085 (E_RNA) where: Base-Base interactions energy: -236.854 where: short stacking energy: -90.533 Base-Backbone interact. energy: -0.547 local terms energy: -113.093841 where: bonds (distance) C4'-P energy: -25.046 bonds (distance) P-C4' energy: -23.719 flat angles C4'-P-C4' energy: -24.036 flat angles P-C4'-P energy: -12.431 tors. eta vs tors. theta energy: -27.862 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: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -324.459726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.459726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.459726 (E_RNA) where: Base-Base interactions energy: -210.995 where: short stacking energy: -106.597 Base-Backbone interact. energy: -0.027 local terms energy: -113.437423 where: bonds (distance) C4'-P energy: -19.214 bonds (distance) P-C4' energy: -22.572 flat angles C4'-P-C4' energy: -24.362 flat angles P-C4'-P energy: -18.016 tors. eta vs tors. theta energy: -29.273 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: 7, replica: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -256.039358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.039358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.039358 (E_RNA) where: Base-Base interactions energy: -168.323 where: short stacking energy: -90.108 Base-Backbone interact. energy: -0.404 local terms energy: -87.312101 where: bonds (distance) C4'-P energy: -18.793 bonds (distance) P-C4' energy: -17.334 flat angles C4'-P-C4' energy: -22.043 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -16.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -232.256807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.256807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.256807 (E_RNA) where: Base-Base interactions energy: -140.346 where: short stacking energy: -65.327 Base-Backbone interact. energy: -0.138 local terms energy: -91.772783 where: bonds (distance) C4'-P energy: -26.937 bonds (distance) P-C4' energy: -20.915 flat angles C4'-P-C4' energy: -24.077 flat angles P-C4'-P energy: -7.705 tors. eta vs tors. theta energy: -12.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -130.459893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.459893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.459893 (E_RNA) where: Base-Base interactions energy: -47.159 where: short stacking energy: -47.159 Base-Backbone interact. energy: -0.181 local terms energy: -83.119598 where: bonds (distance) C4'-P energy: -16.754 bonds (distance) P-C4' energy: -24.422 flat angles C4'-P-C4' energy: -23.562 flat angles P-C4'-P energy: -12.309 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -112.812138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.812138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.812138 (E_RNA) where: Base-Base interactions energy: -47.190 where: short stacking energy: -25.421 Base-Backbone interact. energy: -0.560 local terms energy: -65.062129 where: bonds (distance) C4'-P energy: -19.471 bonds (distance) P-C4' energy: -23.374 flat angles C4'-P-C4' energy: -15.682 flat angles P-C4'-P energy: -10.313 tors. eta vs tors. theta energy: 3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -407.016691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.016691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.016691 (E_RNA) where: Base-Base interactions energy: -277.291 where: short stacking energy: -122.980 Base-Backbone interact. energy: -0.250 local terms energy: -129.475221 where: bonds (distance) C4'-P energy: -22.187 bonds (distance) P-C4' energy: -22.876 flat angles C4'-P-C4' energy: -27.605 flat angles P-C4'-P energy: -19.319 tors. eta vs tors. theta energy: -37.488 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: 2, replica: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -405.420308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.420308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.420308 (E_RNA) where: Base-Base interactions energy: -282.453 where: short stacking energy: -112.448 Base-Backbone interact. energy: -0.013 local terms energy: -122.954301 where: bonds (distance) C4'-P energy: -20.199 bonds (distance) P-C4' energy: -21.226 flat angles C4'-P-C4' energy: -27.971 flat angles P-C4'-P energy: -16.975 tors. eta vs tors. theta energy: -36.584 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: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -366.098746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.098746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.098746 (E_RNA) where: Base-Base interactions energy: -258.765 where: short stacking energy: -111.007 Base-Backbone interact. energy: -0.088 local terms energy: -107.246400 where: bonds (distance) C4'-P energy: -20.026 bonds (distance) P-C4' energy: -23.648 flat angles C4'-P-C4' energy: -19.503 flat angles P-C4'-P energy: -14.856 tors. eta vs tors. theta energy: -29.212 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: 9 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -361.652224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.652224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.652224 (E_RNA) where: Base-Base interactions energy: -244.661 where: short stacking energy: -104.238 Base-Backbone interact. energy: 3.659 local terms energy: -120.649502 where: bonds (distance) C4'-P energy: -23.557 bonds (distance) P-C4' energy: -26.915 flat angles C4'-P-C4' energy: -22.197 flat angles P-C4'-P energy: -18.890 tors. eta vs tors. theta energy: -29.090 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: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -360.290499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.290499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.290499 (E_RNA) where: Base-Base interactions energy: -236.218 where: short stacking energy: -110.679 Base-Backbone interact. energy: -1.417 local terms energy: -122.654839 where: bonds (distance) C4'-P energy: -23.384 bonds (distance) P-C4' energy: -23.348 flat angles C4'-P-C4' energy: -27.940 flat angles P-C4'-P energy: -19.016 tors. eta vs tors. theta energy: -28.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -333.467947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.467947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.467947 (E_RNA) where: Base-Base interactions energy: -212.481 where: short stacking energy: -105.805 Base-Backbone interact. energy: -1.443 local terms energy: -119.543983 where: bonds (distance) C4'-P energy: -22.966 bonds (distance) P-C4' energy: -20.698 flat angles C4'-P-C4' energy: -24.512 flat angles P-C4'-P energy: -19.584 tors. eta vs tors. theta energy: -31.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -243.994799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.994799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.994799 (E_RNA) where: Base-Base interactions energy: -162.416 where: short stacking energy: -72.699 Base-Backbone interact. energy: 0.847 local terms energy: -82.425772 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -19.087 flat angles C4'-P-C4' energy: -22.865 flat angles P-C4'-P energy: -19.588 tors. eta vs tors. theta energy: -7.981 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -228.599017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.599017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.599017 (E_RNA) where: Base-Base interactions energy: -144.841 where: short stacking energy: -67.418 Base-Backbone interact. energy: -0.253 local terms energy: -83.504536 where: bonds (distance) C4'-P energy: -18.199 bonds (distance) P-C4' energy: -21.757 flat angles C4'-P-C4' energy: -22.863 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -13.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -132.149273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.149273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.149273 (E_RNA) where: Base-Base interactions energy: -54.203 where: short stacking energy: -42.229 Base-Backbone interact. energy: -0.273 local terms energy: -77.672994 where: bonds (distance) C4'-P energy: -20.551 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -23.415 flat angles P-C4'-P energy: -11.726 tors. eta vs tors. theta energy: -9.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -109.475478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.475478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.475478 (E_RNA) where: Base-Base interactions energy: -45.920 where: short stacking energy: -33.176 Base-Backbone interact. energy: 0.628 local terms energy: -64.183001 where: bonds (distance) C4'-P energy: -16.433 bonds (distance) P-C4' energy: -26.154 flat angles C4'-P-C4' energy: -18.216 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: 6.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -398.171648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.171648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.171648 (E_RNA) where: Base-Base interactions energy: -271.484 where: short stacking energy: -106.832 Base-Backbone interact. energy: -0.108 local terms energy: -126.579886 where: bonds (distance) C4'-P energy: -25.059 bonds (distance) P-C4' energy: -23.443 flat angles C4'-P-C4' energy: -24.807 flat angles P-C4'-P energy: -19.680 tors. eta vs tors. theta energy: -33.590 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: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -399.768627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.768627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.768627 (E_RNA) where: Base-Base interactions energy: -281.823 where: short stacking energy: -122.568 Base-Backbone interact. energy: -0.572 local terms energy: -117.372891 where: bonds (distance) C4'-P energy: -16.386 bonds (distance) P-C4' energy: -23.718 flat angles C4'-P-C4' energy: -27.940 flat angles P-C4'-P energy: -15.035 tors. eta vs tors. theta energy: -34.294 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: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -368.722028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.722028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.722028 (E_RNA) where: Base-Base interactions energy: -257.787 where: short stacking energy: -112.502 Base-Backbone interact. energy: -1.631 local terms energy: -109.304125 where: bonds (distance) C4'-P energy: -14.867 bonds (distance) P-C4' energy: -19.605 flat angles C4'-P-C4' energy: -27.044 flat angles P-C4'-P energy: -19.713 tors. eta vs tors. theta energy: -28.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -353.249081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.249081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.249081 (E_RNA) where: Base-Base interactions energy: -234.725 where: short stacking energy: -114.711 Base-Backbone interact. energy: -0.261 local terms energy: -118.262875 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -27.438 flat angles C4'-P-C4' energy: -25.119 flat angles P-C4'-P energy: -20.529 tors. eta vs tors. theta energy: -30.851 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: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -352.008666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.008666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.008666 (E_RNA) where: Base-Base interactions energy: -230.604 where: short stacking energy: -99.704 Base-Backbone interact. energy: -0.717 local terms energy: -120.687900 where: bonds (distance) C4'-P energy: -18.370 bonds (distance) P-C4' energy: -26.669 flat angles C4'-P-C4' energy: -31.234 flat angles P-C4'-P energy: -13.109 tors. eta vs tors. theta energy: -31.305 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: 458 Temperature: 1.150000 Total energy: -346.995348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.995348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.995348 (E_RNA) where: Base-Base interactions energy: -239.991 where: short stacking energy: -102.399 Base-Backbone interact. energy: -0.264 local terms energy: -106.740348 where: bonds (distance) C4'-P energy: -19.082 bonds (distance) P-C4' energy: -19.919 flat angles C4'-P-C4' energy: -25.217 flat angles P-C4'-P energy: -9.267 tors. eta vs tors. theta energy: -33.256 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: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -247.289550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.289550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.289550 (E_RNA) where: Base-Base interactions energy: -157.336 where: short stacking energy: -76.242 Base-Backbone interact. energy: 0.498 local terms energy: -90.451793 where: bonds (distance) C4'-P energy: -23.685 bonds (distance) P-C4' energy: -22.527 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -18.088 tors. eta vs tors. theta energy: -11.220 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: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -243.072382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.072382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.072382 (E_RNA) where: Base-Base interactions energy: -156.483 where: short stacking energy: -67.566 Base-Backbone interact. energy: -0.616 local terms energy: -85.972911 where: bonds (distance) C4'-P energy: -18.314 bonds (distance) P-C4' energy: -20.004 flat angles C4'-P-C4' energy: -17.452 flat angles P-C4'-P energy: -17.054 tors. eta vs tors. theta energy: -13.150 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: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -123.527463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.527463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.527463 (E_RNA) where: Base-Base interactions energy: -45.316 where: short stacking energy: -39.443 Base-Backbone interact. energy: 0.250 local terms energy: -78.462209 where: bonds (distance) C4'-P energy: -14.672 bonds (distance) P-C4' energy: -21.340 flat angles C4'-P-C4' energy: -22.073 flat angles P-C4'-P energy: -13.262 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: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -123.572645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.572645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.572645 (E_RNA) where: Base-Base interactions energy: -51.121 where: short stacking energy: -37.568 Base-Backbone interact. energy: -0.215 local terms energy: -72.237015 where: bonds (distance) C4'-P energy: -22.717 bonds (distance) P-C4' energy: -25.053 flat angles C4'-P-C4' energy: -17.465 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: 3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -413.126366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.126366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.126366 (E_RNA) where: Base-Base interactions energy: -286.710 where: short stacking energy: -121.827 Base-Backbone interact. energy: -1.295 local terms energy: -125.122016 where: bonds (distance) C4'-P energy: -23.118 bonds (distance) P-C4' energy: -23.119 flat angles C4'-P-C4' energy: -25.104 flat angles P-C4'-P energy: -17.403 tors. eta vs tors. theta energy: -36.377 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: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -394.967731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.967731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.967731 (E_RNA) where: Base-Base interactions energy: -273.788 where: short stacking energy: -117.765 Base-Backbone interact. energy: -0.547 local terms energy: -120.632475 where: bonds (distance) C4'-P energy: -22.192 bonds (distance) P-C4' energy: -19.887 flat angles C4'-P-C4' energy: -28.137 flat angles P-C4'-P energy: -17.072 tors. eta vs tors. theta energy: -33.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -374.826462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.826462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.826462 (E_RNA) where: Base-Base interactions energy: -261.652 where: short stacking energy: -105.393 Base-Backbone interact. energy: 1.603 local terms energy: -114.777951 where: bonds (distance) C4'-P energy: -24.602 bonds (distance) P-C4' energy: -27.769 flat angles C4'-P-C4' energy: -21.403 flat angles P-C4'-P energy: -13.119 tors. eta vs tors. theta energy: -27.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -367.499818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.499818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.499818 (E_RNA) where: Base-Base interactions energy: -249.054 where: short stacking energy: -114.884 Base-Backbone interact. energy: -1.733 local terms energy: -116.712252 where: bonds (distance) C4'-P energy: -23.019 bonds (distance) P-C4' energy: -19.702 flat angles C4'-P-C4' energy: -24.226 flat angles P-C4'-P energy: -17.927 tors. eta vs tors. theta energy: -31.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -338.965352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.965352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.965352 (E_RNA) where: Base-Base interactions energy: -225.122 where: short stacking energy: -103.313 Base-Backbone interact. energy: -1.238 local terms energy: -112.605171 where: bonds (distance) C4'-P energy: -21.164 bonds (distance) P-C4' energy: -24.868 flat angles C4'-P-C4' energy: -20.932 flat angles P-C4'-P energy: -17.875 tors. eta vs tors. theta energy: -27.767 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: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -341.783121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.783121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.783121 (E_RNA) where: Base-Base interactions energy: -222.786 where: short stacking energy: -109.464 Base-Backbone interact. energy: 0.224 local terms energy: -119.221188 where: bonds (distance) C4'-P energy: -25.653 bonds (distance) P-C4' energy: -22.869 flat angles C4'-P-C4' energy: -21.115 flat angles P-C4'-P energy: -16.777 tors. eta vs tors. theta energy: -32.807 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: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -246.523373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.523373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.523373 (E_RNA) where: Base-Base interactions energy: -152.028 where: short stacking energy: -61.938 Base-Backbone interact. energy: -0.054 local terms energy: -94.441539 where: bonds (distance) C4'-P energy: -22.542 bonds (distance) P-C4' energy: -22.827 flat angles C4'-P-C4' energy: -23.029 flat angles P-C4'-P energy: -15.581 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -240.322760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.322760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.322760 (E_RNA) where: Base-Base interactions energy: -150.637 where: short stacking energy: -64.624 Base-Backbone interact. energy: -0.603 local terms energy: -89.082839 where: bonds (distance) C4'-P energy: -21.909 bonds (distance) P-C4' energy: -18.169 flat angles C4'-P-C4' energy: -22.721 flat angles P-C4'-P energy: -14.780 tors. eta vs tors. theta energy: -11.502 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: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -122.459353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.459353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.459353 (E_RNA) where: Base-Base interactions energy: -41.877 where: short stacking energy: -39.892 Base-Backbone interact. energy: -0.280 local terms energy: -80.302660 where: bonds (distance) C4'-P energy: -23.179 bonds (distance) P-C4' energy: -17.989 flat angles C4'-P-C4' energy: -21.911 flat angles P-C4'-P energy: -13.871 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: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -110.934805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.934805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.934805 (E_RNA) where: Base-Base interactions energy: -49.832 where: short stacking energy: -27.144 Base-Backbone interact. energy: -0.339 local terms energy: -60.764370 where: bonds (distance) C4'-P energy: -20.546 bonds (distance) P-C4' energy: -14.608 flat angles C4'-P-C4' energy: -21.332 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: 4.209 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: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -411.214700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.214700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.214700 (E_RNA) where: Base-Base interactions energy: -285.014 where: short stacking energy: -129.468 Base-Backbone interact. energy: 0.174 local terms energy: -126.374346 where: bonds (distance) C4'-P energy: -24.054 bonds (distance) P-C4' energy: -20.380 flat angles C4'-P-C4' energy: -28.000 flat angles P-C4'-P energy: -15.546 tors. eta vs tors. theta energy: -38.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -398.083671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.083671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.083671 (E_RNA) where: Base-Base interactions energy: -273.170 where: short stacking energy: -113.208 Base-Backbone interact. energy: -0.170 local terms energy: -124.743191 where: bonds (distance) C4'-P energy: -19.729 bonds (distance) P-C4' energy: -24.736 flat angles C4'-P-C4' energy: -23.599 flat angles P-C4'-P energy: -21.607 tors. eta vs tors. theta energy: -35.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -378.402134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.402134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.402134 (E_RNA) where: Base-Base interactions energy: -250.462 where: short stacking energy: -106.355 Base-Backbone interact. energy: -0.123 local terms energy: -127.817022 where: bonds (distance) C4'-P energy: -27.696 bonds (distance) P-C4' energy: -19.872 flat angles C4'-P-C4' energy: -24.272 flat angles P-C4'-P energy: -20.445 tors. eta vs tors. theta energy: -35.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -372.506743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.506743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.506743 (E_RNA) where: Base-Base interactions energy: -269.920 where: short stacking energy: -108.666 Base-Backbone interact. energy: -0.318 local terms energy: -102.268634 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -22.525 flat angles C4'-P-C4' energy: -22.604 flat angles P-C4'-P energy: -14.742 tors. eta vs tors. theta energy: -29.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -362.218744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.218744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.218744 (E_RNA) where: Base-Base interactions energy: -249.441 where: short stacking energy: -113.311 Base-Backbone interact. energy: -0.272 local terms energy: -112.506225 where: bonds (distance) C4'-P energy: -21.748 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -27.623 flat angles P-C4'-P energy: -18.834 tors. eta vs tors. theta energy: -30.770 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: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -346.345616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.345616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.345616 (E_RNA) where: Base-Base interactions energy: -230.465 where: short stacking energy: -111.855 Base-Backbone interact. energy: 0.334 local terms energy: -116.214656 where: bonds (distance) C4'-P energy: -21.806 bonds (distance) P-C4' energy: -21.561 flat angles C4'-P-C4' energy: -20.718 flat angles P-C4'-P energy: -17.361 tors. eta vs tors. theta energy: -34.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -272.062365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.062365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.062365 (E_RNA) where: Base-Base interactions energy: -168.908 where: short stacking energy: -86.083 Base-Backbone interact. energy: 0.744 local terms energy: -103.897903 where: bonds (distance) C4'-P energy: -25.197 bonds (distance) P-C4' energy: -21.013 flat angles C4'-P-C4' energy: -20.695 flat angles P-C4'-P energy: -17.653 tors. eta vs tors. theta energy: -19.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -244.269603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.269603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.269603 (E_RNA) where: Base-Base interactions energy: -152.795 where: short stacking energy: -64.948 Base-Backbone interact. energy: -1.122 local terms energy: -90.353215 where: bonds (distance) C4'-P energy: -18.158 bonds (distance) P-C4' energy: -20.897 flat angles C4'-P-C4' energy: -20.000 flat angles P-C4'-P energy: -17.089 tors. eta vs tors. theta energy: -14.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -123.866956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.866956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.866956 (E_RNA) where: Base-Base interactions energy: -49.444 where: short stacking energy: -43.539 Base-Backbone interact. energy: -0.364 local terms energy: -74.058625 where: bonds (distance) C4'-P energy: -17.883 bonds (distance) P-C4' energy: -23.273 flat angles C4'-P-C4' energy: -19.109 flat angles P-C4'-P energy: -13.378 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: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -114.165907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.165907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.165907 (E_RNA) where: Base-Base interactions energy: -37.231 where: short stacking energy: -36.391 Base-Backbone interact. energy: 0.792 local terms energy: -77.726856 where: bonds (distance) C4'-P energy: -22.432 bonds (distance) P-C4' energy: -23.793 flat angles C4'-P-C4' energy: -11.072 flat angles P-C4'-P energy: -16.388 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -408.936845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.936845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.936845 (E_RNA) where: Base-Base interactions energy: -272.906 where: short stacking energy: -123.949 Base-Backbone interact. energy: -0.581 local terms energy: -135.449855 where: bonds (distance) C4'-P energy: -23.843 bonds (distance) P-C4' energy: -28.627 flat angles C4'-P-C4' energy: -26.476 flat angles P-C4'-P energy: -18.610 tors. eta vs tors. theta energy: -37.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -414.430573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.430573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.430573 (E_RNA) where: Base-Base interactions energy: -287.479 where: short stacking energy: -121.632 Base-Backbone interact. energy: -1.031 local terms energy: -125.919642 where: bonds (distance) C4'-P energy: -25.747 bonds (distance) P-C4' energy: -24.364 flat angles C4'-P-C4' energy: -25.357 flat angles P-C4'-P energy: -16.136 tors. eta vs tors. theta energy: -34.317 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: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -379.395822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.395822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.395822 (E_RNA) where: Base-Base interactions energy: -259.281 where: short stacking energy: -109.015 Base-Backbone interact. energy: -1.451 local terms energy: -118.664183 where: bonds (distance) C4'-P energy: -18.883 bonds (distance) P-C4' energy: -24.205 flat angles C4'-P-C4' energy: -25.755 flat angles P-C4'-P energy: -19.725 tors. eta vs tors. theta energy: -30.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -370.876282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.876282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.876282 (E_RNA) where: Base-Base interactions energy: -251.299 where: short stacking energy: -103.772 Base-Backbone interact. energy: -0.203 local terms energy: -119.373880 where: bonds (distance) C4'-P energy: -23.648 bonds (distance) P-C4' energy: -22.614 flat angles C4'-P-C4' energy: -24.886 flat angles P-C4'-P energy: -19.877 tors. eta vs tors. theta energy: -28.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -351.011124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.011124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.011124 (E_RNA) where: Base-Base interactions energy: -240.445 where: short stacking energy: -104.270 Base-Backbone interact. energy: -0.216 local terms energy: -110.349569 where: bonds (distance) C4'-P energy: -21.227 bonds (distance) P-C4' energy: -22.636 flat angles C4'-P-C4' energy: -27.658 flat angles P-C4'-P energy: -11.514 tors. eta vs tors. theta energy: -27.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -347.558959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.558959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.558959 (E_RNA) where: Base-Base interactions energy: -234.438 where: short stacking energy: -113.576 Base-Backbone interact. energy: -1.056 local terms energy: -112.064929 where: bonds (distance) C4'-P energy: -21.075 bonds (distance) P-C4' energy: -23.729 flat angles C4'-P-C4' energy: -20.011 flat angles P-C4'-P energy: -12.840 tors. eta vs tors. theta energy: -34.411 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: 461 Temperature: 1.200000 Total energy: -258.711653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.711653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.711653 (E_RNA) where: Base-Base interactions energy: -176.846 where: short stacking energy: -89.514 Base-Backbone interact. energy: 0.788 local terms energy: -82.654116 where: bonds (distance) C4'-P energy: -16.284 bonds (distance) P-C4' energy: -20.000 flat angles C4'-P-C4' energy: -17.367 flat angles P-C4'-P energy: -14.790 tors. eta vs tors. theta energy: -14.214 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: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -257.401745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.401745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.401745 (E_RNA) where: Base-Base interactions energy: -159.502 where: short stacking energy: -75.514 Base-Backbone interact. energy: -0.081 local terms energy: -97.818267 where: bonds (distance) C4'-P energy: -22.785 bonds (distance) P-C4' energy: -12.289 flat angles C4'-P-C4' energy: -25.038 flat angles P-C4'-P energy: -13.395 tors. eta vs tors. theta energy: -24.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -127.110407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.110407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.110407 (E_RNA) where: Base-Base interactions energy: -41.259 where: short stacking energy: -34.038 Base-Backbone interact. energy: -0.154 local terms energy: -85.697018 where: bonds (distance) C4'-P energy: -24.505 bonds (distance) P-C4' energy: -28.392 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -20.400 tors. eta vs tors. theta energy: 0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -121.970997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.970997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.970997 (E_RNA) where: Base-Base interactions energy: -61.702 where: short stacking energy: -48.486 Base-Backbone interact. energy: -1.616 local terms energy: -58.653350 where: bonds (distance) C4'-P energy: -10.041 bonds (distance) P-C4' energy: -22.000 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -411.267598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.267598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.267598 (E_RNA) where: Base-Base interactions energy: -284.316 where: short stacking energy: -115.905 Base-Backbone interact. energy: -0.263 local terms energy: -126.688317 where: bonds (distance) C4'-P energy: -19.930 bonds (distance) P-C4' energy: -23.462 flat angles C4'-P-C4' energy: -26.552 flat angles P-C4'-P energy: -17.786 tors. eta vs tors. theta energy: -38.957 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: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -395.507017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.507017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.507017 (E_RNA) where: Base-Base interactions energy: -265.694 where: short stacking energy: -115.322 Base-Backbone interact. energy: -1.523 local terms energy: -128.290069 where: bonds (distance) C4'-P energy: -24.670 bonds (distance) P-C4' energy: -24.448 flat angles C4'-P-C4' energy: -24.145 flat angles P-C4'-P energy: -17.578 tors. eta vs tors. theta energy: -37.449 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: 3, replica: 1 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -391.421309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.421309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.421309 (E_RNA) where: Base-Base interactions energy: -278.812 where: short stacking energy: -105.490 Base-Backbone interact. energy: -0.415 local terms energy: -112.194200 where: bonds (distance) C4'-P energy: -23.433 bonds (distance) P-C4' energy: -17.900 flat angles C4'-P-C4' energy: -25.190 flat angles P-C4'-P energy: -17.026 tors. eta vs tors. theta energy: -28.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -340.399431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.399431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.399431 (E_RNA) where: Base-Base interactions energy: -233.388 where: short stacking energy: -104.668 Base-Backbone interact. energy: 0.643 local terms energy: -107.655015 where: bonds (distance) C4'-P energy: -22.310 bonds (distance) P-C4' energy: -17.875 flat angles C4'-P-C4' energy: -24.853 flat angles P-C4'-P energy: -17.003 tors. eta vs tors. theta energy: -25.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -345.422183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.422183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.422183 (E_RNA) where: Base-Base interactions energy: -235.554 where: short stacking energy: -98.340 Base-Backbone interact. energy: -0.428 local terms energy: -109.440043 where: bonds (distance) C4'-P energy: -18.821 bonds (distance) P-C4' energy: -21.893 flat angles C4'-P-C4' energy: -24.787 flat angles P-C4'-P energy: -16.508 tors. eta vs tors. theta energy: -27.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -339.263320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.263320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.263320 (E_RNA) where: Base-Base interactions energy: -222.817 where: short stacking energy: -110.384 Base-Backbone interact. energy: -0.053 local terms energy: -116.393726 where: bonds (distance) C4'-P energy: -19.843 bonds (distance) P-C4' energy: -18.028 flat angles C4'-P-C4' energy: -28.080 flat angles P-C4'-P energy: -15.902 tors. eta vs tors. theta energy: -34.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -233.596046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.596046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.596046 (E_RNA) where: Base-Base interactions energy: -132.832 where: short stacking energy: -60.483 Base-Backbone interact. energy: -0.519 local terms energy: -100.244934 where: bonds (distance) C4'-P energy: -19.200 bonds (distance) P-C4' energy: -18.740 flat angles C4'-P-C4' energy: -20.892 flat angles P-C4'-P energy: -21.525 tors. eta vs tors. theta energy: -19.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -247.436945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.436945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.436945 (E_RNA) where: Base-Base interactions energy: -149.750 where: short stacking energy: -75.453 Base-Backbone interact. energy: 1.006 local terms energy: -98.693362 where: bonds (distance) C4'-P energy: -25.971 bonds (distance) P-C4' energy: -21.771 flat angles C4'-P-C4' energy: -21.142 flat angles P-C4'-P energy: -13.669 tors. eta vs tors. theta energy: -16.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -143.588460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.588460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.588460 (E_RNA) where: Base-Base interactions energy: -62.692 where: short stacking energy: -51.495 Base-Backbone interact. energy: -0.655 local terms energy: -80.241581 where: bonds (distance) C4'-P energy: -17.021 bonds (distance) P-C4' energy: -18.590 flat angles C4'-P-C4' energy: -21.168 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -123.206823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.206823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.206823 (E_RNA) where: Base-Base interactions energy: -57.247 where: short stacking energy: -39.192 Base-Backbone interact. energy: 0.331 local terms energy: -66.291111 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -21.647 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -10.120 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: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -408.055409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.055409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.055409 (E_RNA) where: Base-Base interactions energy: -270.910 where: short stacking energy: -123.347 Base-Backbone interact. energy: -0.502 local terms energy: -136.643933 where: bonds (distance) C4'-P energy: -26.170 bonds (distance) P-C4' energy: -25.036 flat angles C4'-P-C4' energy: -28.954 flat angles P-C4'-P energy: -17.066 tors. eta vs tors. theta energy: -39.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -420.081310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.081310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.081310 (E_RNA) where: Base-Base interactions energy: -297.843 where: short stacking energy: -122.488 Base-Backbone interact. energy: -0.434 local terms energy: -121.803645 where: bonds (distance) C4'-P energy: -23.271 bonds (distance) P-C4' energy: -23.145 flat angles C4'-P-C4' energy: -23.579 flat angles P-C4'-P energy: -17.352 tors. eta vs tors. theta energy: -34.456 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: 463 Temperature: 1.000000 Total energy: -376.170157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.170157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.170157 (E_RNA) where: Base-Base interactions energy: -251.907 where: short stacking energy: -117.207 Base-Backbone interact. energy: -0.439 local terms energy: -123.823991 where: bonds (distance) C4'-P energy: -15.699 bonds (distance) P-C4' energy: -25.829 flat angles C4'-P-C4' energy: -28.703 flat angles P-C4'-P energy: -20.032 tors. eta vs tors. theta energy: -33.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -348.098756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.098756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.098756 (E_RNA) where: Base-Base interactions energy: -236.191 where: short stacking energy: -93.590 Base-Backbone interact. energy: -1.105 local terms energy: -110.801873 where: bonds (distance) C4'-P energy: -21.906 bonds (distance) P-C4' energy: -21.764 flat angles C4'-P-C4' energy: -27.650 flat angles P-C4'-P energy: -14.626 tors. eta vs tors. theta energy: -24.857 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: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -351.174811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.174811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.174811 (E_RNA) where: Base-Base interactions energy: -234.526 where: short stacking energy: -106.959 Base-Backbone interact. energy: -0.083 local terms energy: -116.565446 where: bonds (distance) C4'-P energy: -21.528 bonds (distance) P-C4' energy: -25.958 flat angles C4'-P-C4' energy: -23.626 flat angles P-C4'-P energy: -16.205 tors. eta vs tors. theta energy: -29.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -343.600641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.600641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.600641 (E_RNA) where: Base-Base interactions energy: -221.611 where: short stacking energy: -110.729 Base-Backbone interact. energy: -0.934 local terms energy: -121.055735 where: bonds (distance) C4'-P energy: -17.120 bonds (distance) P-C4' energy: -24.180 flat angles C4'-P-C4' energy: -25.671 flat angles P-C4'-P energy: -20.153 tors. eta vs tors. theta energy: -33.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -257.810320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.810320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.810320 (E_RNA) where: Base-Base interactions energy: -160.209 where: short stacking energy: -83.711 Base-Backbone interact. energy: -0.414 local terms energy: -97.187570 where: bonds (distance) C4'-P energy: -22.671 bonds (distance) P-C4' energy: -20.572 flat angles C4'-P-C4' energy: -22.282 flat angles P-C4'-P energy: -15.144 tors. eta vs tors. theta energy: -16.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -230.269739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.269739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.269739 (E_RNA) where: Base-Base interactions energy: -140.163 where: short stacking energy: -68.017 Base-Backbone interact. energy: -0.091 local terms energy: -90.015547 where: bonds (distance) C4'-P energy: -21.786 bonds (distance) P-C4' energy: -20.800 flat angles C4'-P-C4' energy: -16.462 flat angles P-C4'-P energy: -13.753 tors. eta vs tors. theta energy: -17.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -122.489522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.489522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.489522 (E_RNA) where: Base-Base interactions energy: -38.176 where: short stacking energy: -27.957 Base-Backbone interact. energy: -0.868 local terms energy: -83.445328 where: bonds (distance) C4'-P energy: -17.500 bonds (distance) P-C4' energy: -26.039 flat angles C4'-P-C4' energy: -23.004 flat angles P-C4'-P energy: -18.729 tors. eta vs tors. theta energy: 1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -125.942310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.942310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.942310 (E_RNA) where: Base-Base interactions energy: -50.870 where: short stacking energy: -48.054 Base-Backbone interact. energy: -0.022 local terms energy: -75.050029 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -14.611 flat angles P-C4'-P energy: -15.628 tors. eta vs tors. theta energy: -15.320 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: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -419.231652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.231652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.231652 (E_RNA) where: Base-Base interactions energy: -294.407 where: short stacking energy: -123.636 Base-Backbone interact. energy: -0.044 local terms energy: -124.781277 where: bonds (distance) C4'-P energy: -25.192 bonds (distance) P-C4' energy: -29.098 flat angles C4'-P-C4' energy: -25.651 flat angles P-C4'-P energy: -14.256 tors. eta vs tors. theta energy: -30.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -395.201975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.201975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.201975 (E_RNA) where: Base-Base interactions energy: -259.396 where: short stacking energy: -118.442 Base-Backbone interact. energy: -0.017 local terms energy: -135.789223 where: bonds (distance) C4'-P energy: -23.723 bonds (distance) P-C4' energy: -25.251 flat angles C4'-P-C4' energy: -28.888 flat angles P-C4'-P energy: -20.028 tors. eta vs tors. theta energy: -37.900 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: 464 Temperature: 1.000000 Total energy: -356.052556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.052556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.052556 (E_RNA) where: Base-Base interactions energy: -244.766 where: short stacking energy: -111.384 Base-Backbone interact. energy: -0.479 local terms energy: -110.807690 where: bonds (distance) C4'-P energy: -19.153 bonds (distance) P-C4' energy: -21.625 flat angles C4'-P-C4' energy: -24.239 flat angles P-C4'-P energy: -20.709 tors. eta vs tors. theta energy: -25.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -356.332399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.332399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.332399 (E_RNA) where: Base-Base interactions energy: -240.589 where: short stacking energy: -112.453 Base-Backbone interact. energy: -0.529 local terms energy: -115.214414 where: bonds (distance) C4'-P energy: -18.930 bonds (distance) P-C4' energy: -26.740 flat angles C4'-P-C4' energy: -22.342 flat angles P-C4'-P energy: -14.760 tors. eta vs tors. theta energy: -32.442 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: 5, replica: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -346.532415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.532415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.532415 (E_RNA) where: Base-Base interactions energy: -226.439 where: short stacking energy: -113.508 Base-Backbone interact. energy: -0.024 local terms energy: -120.070014 where: bonds (distance) C4'-P energy: -19.699 bonds (distance) P-C4' energy: -26.346 flat angles C4'-P-C4' energy: -26.995 flat angles P-C4'-P energy: -14.685 tors. eta vs tors. theta energy: -32.344 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: 9 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -336.944207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.944207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.944207 (E_RNA) where: Base-Base interactions energy: -232.694 where: short stacking energy: -99.290 Base-Backbone interact. energy: -0.468 local terms energy: -103.782042 where: bonds (distance) C4'-P energy: -19.173 bonds (distance) P-C4' energy: -21.452 flat angles C4'-P-C4' energy: -22.217 flat angles P-C4'-P energy: -15.289 tors. eta vs tors. theta energy: -25.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -240.421973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.421973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.421973 (E_RNA) where: Base-Base interactions energy: -156.737 where: short stacking energy: -76.943 Base-Backbone interact. energy: -0.484 local terms energy: -83.201260 where: bonds (distance) C4'-P energy: -20.268 bonds (distance) P-C4' energy: -20.062 flat angles C4'-P-C4' energy: -17.085 flat angles P-C4'-P energy: -15.569 tors. eta vs tors. theta energy: -10.216 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: 464 Temperature: 1.250000 Total energy: -240.970999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.970999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.970999 (E_RNA) where: Base-Base interactions energy: -156.012 where: short stacking energy: -77.644 Base-Backbone interact. energy: -0.353 local terms energy: -84.606224 where: bonds (distance) C4'-P energy: -14.653 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -22.344 flat angles P-C4'-P energy: -16.587 tors. eta vs tors. theta energy: -15.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -143.042119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.042119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.042119 (E_RNA) where: Base-Base interactions energy: -62.747 where: short stacking energy: -40.294 Base-Backbone interact. energy: -0.361 local terms energy: -79.933770 where: bonds (distance) C4'-P energy: -24.070 bonds (distance) P-C4' energy: -19.629 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -15.161 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -121.205353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.205353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.205353 (E_RNA) where: Base-Base interactions energy: -44.443 where: short stacking energy: -40.960 Base-Backbone interact. energy: -0.099 local terms energy: -76.664009 where: bonds (distance) C4'-P energy: -21.574 bonds (distance) P-C4' energy: -23.095 flat angles C4'-P-C4' energy: -15.630 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -5.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -417.882667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.882667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.882667 (E_RNA) where: Base-Base interactions energy: -295.476 where: short stacking energy: -120.770 Base-Backbone interact. energy: -0.045 local terms energy: -122.360994 where: bonds (distance) C4'-P energy: -18.657 bonds (distance) P-C4' energy: -27.421 flat angles C4'-P-C4' energy: -24.798 flat angles P-C4'-P energy: -18.768 tors. eta vs tors. theta energy: -32.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -403.078564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.078564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.078564 (E_RNA) where: Base-Base interactions energy: -288.310 where: short stacking energy: -119.929 Base-Backbone interact. energy: -0.460 local terms energy: -114.308565 where: bonds (distance) C4'-P energy: -18.043 bonds (distance) P-C4' energy: -25.341 flat angles C4'-P-C4' energy: -24.304 flat angles P-C4'-P energy: -12.974 tors. eta vs tors. theta energy: -33.646 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: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -351.781812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.781812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.781812 (E_RNA) where: Base-Base interactions energy: -238.623 where: short stacking energy: -101.734 Base-Backbone interact. energy: -1.502 local terms energy: -111.656378 where: bonds (distance) C4'-P energy: -19.190 bonds (distance) P-C4' energy: -21.745 flat angles C4'-P-C4' energy: -22.861 flat angles P-C4'-P energy: -19.452 tors. eta vs tors. theta energy: -28.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -356.178556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.178556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.178556 (E_RNA) where: Base-Base interactions energy: -236.374 where: short stacking energy: -105.082 Base-Backbone interact. energy: -0.959 local terms energy: -118.845173 where: bonds (distance) C4'-P energy: -22.882 bonds (distance) P-C4' energy: -22.174 flat angles C4'-P-C4' energy: -25.299 flat angles P-C4'-P energy: -16.348 tors. eta vs tors. theta energy: -32.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -358.012862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.012862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.012862 (E_RNA) where: Base-Base interactions energy: -242.369 where: short stacking energy: -118.226 Base-Backbone interact. energy: -0.873 local terms energy: -114.771049 where: bonds (distance) C4'-P energy: -19.877 bonds (distance) P-C4' energy: -23.609 flat angles C4'-P-C4' energy: -23.787 flat angles P-C4'-P energy: -13.907 tors. eta vs tors. theta energy: -33.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -341.160009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.160009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.160009 (E_RNA) where: Base-Base interactions energy: -224.069 where: short stacking energy: -94.622 Base-Backbone interact. energy: -0.670 local terms energy: -116.421865 where: bonds (distance) C4'-P energy: -22.022 bonds (distance) P-C4' energy: -23.702 flat angles C4'-P-C4' energy: -25.268 flat angles P-C4'-P energy: -16.903 tors. eta vs tors. theta energy: -28.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -253.947544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.947544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.947544 (E_RNA) where: Base-Base interactions energy: -158.327 where: short stacking energy: -79.609 Base-Backbone interact. energy: 1.641 local terms energy: -97.261440 where: bonds (distance) C4'-P energy: -21.413 bonds (distance) P-C4' energy: -26.427 flat angles C4'-P-C4' energy: -23.303 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -19.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -245.830849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.830849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.830849 (E_RNA) where: Base-Base interactions energy: -168.626 where: short stacking energy: -83.859 Base-Backbone interact. energy: 0.782 local terms energy: -77.986862 where: bonds (distance) C4'-P energy: -18.113 bonds (distance) P-C4' energy: -19.360 flat angles C4'-P-C4' energy: -22.749 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -156.309971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.309971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.309971 (E_RNA) where: Base-Base interactions energy: -84.115 where: short stacking energy: -44.397 Base-Backbone interact. energy: -0.302 local terms energy: -71.892183 where: bonds (distance) C4'-P energy: -20.550 bonds (distance) P-C4' energy: -24.855 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -10.574 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -133.031351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.031351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.031351 (E_RNA) where: Base-Base interactions energy: -51.412 where: short stacking energy: -49.478 Base-Backbone interact. energy: -0.420 local terms energy: -81.198992 where: bonds (distance) C4'-P energy: -16.012 bonds (distance) P-C4' energy: -22.919 flat angles C4'-P-C4' energy: -24.791 flat angles P-C4'-P energy: -13.883 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: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -430.586208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.586208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.586208 (E_RNA) where: Base-Base interactions energy: -302.720 where: short stacking energy: -123.710 Base-Backbone interact. energy: -0.630 local terms energy: -127.236795 where: bonds (distance) C4'-P energy: -20.543 bonds (distance) P-C4' energy: -27.270 flat angles C4'-P-C4' energy: -23.265 flat angles P-C4'-P energy: -20.877 tors. eta vs tors. theta energy: -35.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -393.356431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.356431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.356431 (E_RNA) where: Base-Base interactions energy: -274.714 where: short stacking energy: -115.378 Base-Backbone interact. energy: -0.503 local terms energy: -118.140114 where: bonds (distance) C4'-P energy: -20.427 bonds (distance) P-C4' energy: -23.348 flat angles C4'-P-C4' energy: -24.916 flat angles P-C4'-P energy: -18.959 tors. eta vs tors. theta energy: -30.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -356.751168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.751168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.751168 (E_RNA) where: Base-Base interactions energy: -243.396 where: short stacking energy: -103.483 Base-Backbone interact. energy: -1.119 local terms energy: -112.235868 where: bonds (distance) C4'-P energy: -19.120 bonds (distance) P-C4' energy: -25.214 flat angles C4'-P-C4' energy: -25.010 flat angles P-C4'-P energy: -10.215 tors. eta vs tors. theta energy: -32.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -351.221447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.221447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.221447 (E_RNA) where: Base-Base interactions energy: -234.093 where: short stacking energy: -101.558 Base-Backbone interact. energy: -0.497 local terms energy: -116.632159 where: bonds (distance) C4'-P energy: -16.072 bonds (distance) P-C4' energy: -25.505 flat angles C4'-P-C4' energy: -30.134 flat angles P-C4'-P energy: -19.705 tors. eta vs tors. theta energy: -25.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -344.473212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.473212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.473212 (E_RNA) where: Base-Base interactions energy: -224.155 where: short stacking energy: -104.609 Base-Backbone interact. energy: -0.488 local terms energy: -119.829573 where: bonds (distance) C4'-P energy: -24.306 bonds (distance) P-C4' energy: -22.036 flat angles C4'-P-C4' energy: -24.402 flat angles P-C4'-P energy: -17.845 tors. eta vs tors. theta energy: -31.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -331.514398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.514398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.514398 (E_RNA) where: Base-Base interactions energy: -230.758 where: short stacking energy: -84.496 Base-Backbone interact. energy: 1.697 local terms energy: -102.453200 where: bonds (distance) C4'-P energy: -24.543 bonds (distance) P-C4' energy: -21.088 flat angles C4'-P-C4' energy: -20.084 flat angles P-C4'-P energy: -15.044 tors. eta vs tors. theta energy: -21.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -248.123605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.123605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.123605 (E_RNA) where: Base-Base interactions energy: -156.757 where: short stacking energy: -73.532 Base-Backbone interact. energy: -0.333 local terms energy: -91.033851 where: bonds (distance) C4'-P energy: -15.437 bonds (distance) P-C4' energy: -23.049 flat angles C4'-P-C4' energy: -20.689 flat angles P-C4'-P energy: -16.074 tors. eta vs tors. theta energy: -15.785 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: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -243.160167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.160167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.160167 (E_RNA) where: Base-Base interactions energy: -149.688 where: short stacking energy: -67.123 Base-Backbone interact. energy: -0.101 local terms energy: -93.371178 where: bonds (distance) C4'-P energy: -18.840 bonds (distance) P-C4' energy: -28.054 flat angles C4'-P-C4' energy: -21.254 flat angles P-C4'-P energy: -12.566 tors. eta vs tors. theta energy: -12.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -184.628135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.628135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.628135 (E_RNA) where: Base-Base interactions energy: -116.382 where: short stacking energy: -63.409 Base-Backbone interact. energy: -0.667 local terms energy: -67.579444 where: bonds (distance) C4'-P energy: -18.317 bonds (distance) P-C4' energy: -16.960 flat angles C4'-P-C4' energy: -16.419 flat angles P-C4'-P energy: -8.987 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: 10, replica: 5 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -116.934841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.934841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.934841 (E_RNA) where: Base-Base interactions energy: -50.313 where: short stacking energy: -43.558 Base-Backbone interact. energy: -0.720 local terms energy: -65.901373 where: bonds (distance) C4'-P energy: -20.111 bonds (distance) P-C4' energy: -15.629 flat angles C4'-P-C4' energy: -16.958 flat angles P-C4'-P energy: -12.055 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -434.988350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.988350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.988350 (E_RNA) where: Base-Base interactions energy: -304.672 where: short stacking energy: -126.094 Base-Backbone interact. energy: -0.042 local terms energy: -130.274383 where: bonds (distance) C4'-P energy: -28.393 bonds (distance) P-C4' energy: -26.029 flat angles C4'-P-C4' energy: -26.987 flat angles P-C4'-P energy: -14.394 tors. eta vs tors. theta energy: -34.471 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: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -383.427849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.427849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.427849 (E_RNA) where: Base-Base interactions energy: -265.184 where: short stacking energy: -116.584 Base-Backbone interact. energy: -0.744 local terms energy: -117.499995 where: bonds (distance) C4'-P energy: -17.649 bonds (distance) P-C4' energy: -22.136 flat angles C4'-P-C4' energy: -24.770 flat angles P-C4'-P energy: -20.507 tors. eta vs tors. theta energy: -32.438 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: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -364.201408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.201408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.201408 (E_RNA) where: Base-Base interactions energy: -240.810 where: short stacking energy: -104.869 Base-Backbone interact. energy: -0.197 local terms energy: -123.194466 where: bonds (distance) C4'-P energy: -21.993 bonds (distance) P-C4' energy: -25.878 flat angles C4'-P-C4' energy: -27.274 flat angles P-C4'-P energy: -15.099 tors. eta vs tors. theta energy: -32.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -355.758828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.758828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.758828 (E_RNA) where: Base-Base interactions energy: -237.435 where: short stacking energy: -116.101 Base-Backbone interact. energy: -0.324 local terms energy: -117.999360 where: bonds (distance) C4'-P energy: -22.797 bonds (distance) P-C4' energy: -20.375 flat angles C4'-P-C4' energy: -27.705 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -35.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -336.782606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.782606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.782606 (E_RNA) where: Base-Base interactions energy: -241.816 where: short stacking energy: -115.271 Base-Backbone interact. energy: -0.356 local terms energy: -94.610740 where: bonds (distance) C4'-P energy: -14.316 bonds (distance) P-C4' energy: -16.849 flat angles C4'-P-C4' energy: -19.856 flat angles P-C4'-P energy: -16.821 tors. eta vs tors. theta energy: -26.769 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: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -337.966103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.966103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.966103 (E_RNA) where: Base-Base interactions energy: -228.204 where: short stacking energy: -108.760 Base-Backbone interact. energy: -0.799 local terms energy: -108.962437 where: bonds (distance) C4'-P energy: -17.041 bonds (distance) P-C4' energy: -20.465 flat angles C4'-P-C4' energy: -25.290 flat angles P-C4'-P energy: -18.233 tors. eta vs tors. theta energy: -27.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -253.851606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.851606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.851606 (E_RNA) where: Base-Base interactions energy: -160.772 where: short stacking energy: -75.174 Base-Backbone interact. energy: -0.350 local terms energy: -92.729084 where: bonds (distance) C4'-P energy: -15.950 bonds (distance) P-C4' energy: -23.065 flat angles C4'-P-C4' energy: -20.549 flat angles P-C4'-P energy: -16.934 tors. eta vs tors. theta energy: -16.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -237.607164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.607164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.607164 (E_RNA) where: Base-Base interactions energy: -147.038 where: short stacking energy: -64.967 Base-Backbone interact. energy: -0.353 local terms energy: -90.216270 where: bonds (distance) C4'-P energy: -28.143 bonds (distance) P-C4' energy: -23.432 flat angles C4'-P-C4' energy: -18.200 flat angles P-C4'-P energy: -12.148 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: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -180.870109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.870109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.870109 (E_RNA) where: Base-Base interactions energy: -103.808 where: short stacking energy: -55.031 Base-Backbone interact. energy: -0.692 local terms energy: -76.370176 where: bonds (distance) C4'-P energy: -20.569 bonds (distance) P-C4' energy: -24.794 flat angles C4'-P-C4' energy: -21.341 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -173.920318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.920318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.920318 (E_RNA) where: Base-Base interactions energy: -103.788 where: short stacking energy: -47.033 Base-Backbone interact. energy: -1.925 local terms energy: -68.207949 where: bonds (distance) C4'-P energy: -17.074 bonds (distance) P-C4' energy: -24.991 flat angles C4'-P-C4' energy: -20.010 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -423.815907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.815907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.815907 (E_RNA) where: Base-Base interactions energy: -294.242 where: short stacking energy: -123.403 Base-Backbone interact. energy: -0.011 local terms energy: -129.562270 where: bonds (distance) C4'-P energy: -28.264 bonds (distance) P-C4' energy: -23.234 flat angles C4'-P-C4' energy: -27.065 flat angles P-C4'-P energy: -17.182 tors. eta vs tors. theta energy: -33.817 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: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -399.360274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.360274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.360274 (E_RNA) where: Base-Base interactions energy: -278.698 where: short stacking energy: -114.495 Base-Backbone interact. energy: -0.572 local terms energy: -120.089732 where: bonds (distance) C4'-P energy: -23.018 bonds (distance) P-C4' energy: -27.058 flat angles C4'-P-C4' energy: -24.070 flat angles P-C4'-P energy: -12.637 tors. eta vs tors. theta energy: -33.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -366.733563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.733563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.733563 (E_RNA) where: Base-Base interactions energy: -233.964 where: short stacking energy: -110.865 Base-Backbone interact. energy: -0.280 local terms energy: -132.489442 where: bonds (distance) C4'-P energy: -25.655 bonds (distance) P-C4' energy: -26.875 flat angles C4'-P-C4' energy: -28.007 flat angles P-C4'-P energy: -17.799 tors. eta vs tors. theta energy: -34.153 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: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -361.327708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.327708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.327708 (E_RNA) where: Base-Base interactions energy: -248.955 where: short stacking energy: -115.624 Base-Backbone interact. energy: -1.036 local terms energy: -111.336087 where: bonds (distance) C4'-P energy: -20.154 bonds (distance) P-C4' energy: -21.395 flat angles C4'-P-C4' energy: -25.517 flat angles P-C4'-P energy: -13.732 tors. eta vs tors. theta energy: -30.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -339.860890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.860890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.860890 (E_RNA) where: Base-Base interactions energy: -227.581 where: short stacking energy: -83.765 Base-Backbone interact. energy: -0.254 local terms energy: -112.026180 where: bonds (distance) C4'-P energy: -26.236 bonds (distance) P-C4' energy: -23.819 flat angles C4'-P-C4' energy: -27.369 flat angles P-C4'-P energy: -16.752 tors. eta vs tors. theta energy: -17.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -330.433561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.433561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.433561 (E_RNA) where: Base-Base interactions energy: -226.182 where: short stacking energy: -106.031 Base-Backbone interact. energy: -0.185 local terms energy: -104.065983 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -20.093 flat angles C4'-P-C4' energy: -25.499 flat angles P-C4'-P energy: -12.077 tors. eta vs tors. theta energy: -31.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -241.051529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.051529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.051529 (E_RNA) where: Base-Base interactions energy: -154.244 where: short stacking energy: -63.007 Base-Backbone interact. energy: 2.672 local terms energy: -89.478952 where: bonds (distance) C4'-P energy: -18.157 bonds (distance) P-C4' energy: -27.043 flat angles C4'-P-C4' energy: -17.338 flat angles P-C4'-P energy: -16.694 tors. eta vs tors. theta energy: -10.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -252.230879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.230879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.230879 (E_RNA) where: Base-Base interactions energy: -156.228 where: short stacking energy: -71.203 Base-Backbone interact. energy: -0.586 local terms energy: -95.416326 where: bonds (distance) C4'-P energy: -20.961 bonds (distance) P-C4' energy: -27.505 flat angles C4'-P-C4' energy: -16.579 flat angles P-C4'-P energy: -16.808 tors. eta vs tors. theta energy: -13.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -193.532436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.532436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.532436 (E_RNA) where: Base-Base interactions energy: -101.861 where: short stacking energy: -47.613 Base-Backbone interact. energy: 0.919 local terms energy: -92.591173 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -25.400 flat angles C4'-P-C4' energy: -25.753 flat angles P-C4'-P energy: -17.514 tors. eta vs tors. theta energy: -9.214 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: 5 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -174.498118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.498118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.498118 (E_RNA) where: Base-Base interactions energy: -99.458 where: short stacking energy: -52.364 Base-Backbone interact. energy: -0.343 local terms energy: -74.697737 where: bonds (distance) C4'-P energy: -18.613 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -24.803 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -421.253172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.253172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.253172 (E_RNA) where: Base-Base interactions energy: -300.094 where: short stacking energy: -122.791 Base-Backbone interact. energy: -0.211 local terms energy: -120.948162 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -27.033 flat angles C4'-P-C4' energy: -24.997 flat angles P-C4'-P energy: -19.595 tors. eta vs tors. theta energy: -33.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -371.899499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.899499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.899499 (E_RNA) where: Base-Base interactions energy: -246.844 where: short stacking energy: -125.288 Base-Backbone interact. energy: -0.382 local terms energy: -124.673702 where: bonds (distance) C4'-P energy: -24.813 bonds (distance) P-C4' energy: -25.505 flat angles C4'-P-C4' energy: -21.138 flat angles P-C4'-P energy: -14.641 tors. eta vs tors. theta energy: -38.576 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: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -390.892673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.892673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.892673 (E_RNA) where: Base-Base interactions energy: -266.264 where: short stacking energy: -105.563 Base-Backbone interact. energy: -1.768 local terms energy: -122.860375 where: bonds (distance) C4'-P energy: -21.504 bonds (distance) P-C4' energy: -28.340 flat angles C4'-P-C4' energy: -28.641 flat angles P-C4'-P energy: -16.538 tors. eta vs tors. theta energy: -27.838 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: 469 Temperature: 1.050000 Total energy: -373.739777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.739777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.739777 (E_RNA) where: Base-Base interactions energy: -259.843 where: short stacking energy: -116.778 Base-Backbone interact. energy: -0.634 local terms energy: -113.262554 where: bonds (distance) C4'-P energy: -16.286 bonds (distance) P-C4' energy: -23.751 flat angles C4'-P-C4' energy: -19.462 flat angles P-C4'-P energy: -21.492 tors. eta vs tors. theta energy: -32.271 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: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -337.727229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.727229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.727229 (E_RNA) where: Base-Base interactions energy: -230.839 where: short stacking energy: -98.080 Base-Backbone interact. energy: 0.178 local terms energy: -107.066476 where: bonds (distance) C4'-P energy: -17.954 bonds (distance) P-C4' energy: -25.857 flat angles C4'-P-C4' energy: -25.089 flat angles P-C4'-P energy: -16.254 tors. eta vs tors. theta energy: -21.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -331.776376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.776376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.776376 (E_RNA) where: Base-Base interactions energy: -227.070 where: short stacking energy: -98.526 Base-Backbone interact. energy: -0.330 local terms energy: -104.376134 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -22.740 flat angles C4'-P-C4' energy: -25.978 flat angles P-C4'-P energy: -18.215 tors. eta vs tors. theta energy: -22.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -249.459157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.459157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.459157 (E_RNA) where: Base-Base interactions energy: -162.416 where: short stacking energy: -74.185 Base-Backbone interact. energy: -0.872 local terms energy: -86.170504 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -21.099 flat angles C4'-P-C4' energy: -17.484 flat angles P-C4'-P energy: -16.658 tors. eta vs tors. theta energy: -15.863 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: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -242.231615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.231615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.231615 (E_RNA) where: Base-Base interactions energy: -157.551 where: short stacking energy: -78.753 Base-Backbone interact. energy: -0.113 local terms energy: -84.567489 where: bonds (distance) C4'-P energy: -18.618 bonds (distance) P-C4' energy: -22.254 flat angles C4'-P-C4' energy: -22.201 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -15.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -183.782631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.782631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.782631 (E_RNA) where: Base-Base interactions energy: -109.484 where: short stacking energy: -57.930 Base-Backbone interact. energy: -1.802 local terms energy: -72.496615 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -25.645 flat angles C4'-P-C4' energy: -16.492 flat angles P-C4'-P energy: -14.305 tors. eta vs tors. theta energy: -6.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -176.389035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.389035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.389035 (E_RNA) where: Base-Base interactions energy: -95.219 where: short stacking energy: -47.536 Base-Backbone interact. energy: 0.544 local terms energy: -81.714584 where: bonds (distance) C4'-P energy: -21.718 bonds (distance) P-C4' energy: -18.299 flat angles C4'-P-C4' energy: -17.946 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -13.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -403.203289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.203289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.203289 (E_RNA) where: Base-Base interactions energy: -273.994 where: short stacking energy: -116.641 Base-Backbone interact. energy: -0.145 local terms energy: -129.063858 where: bonds (distance) C4'-P energy: -23.861 bonds (distance) P-C4' energy: -27.011 flat angles C4'-P-C4' energy: -28.224 flat angles P-C4'-P energy: -17.668 tors. eta vs tors. theta energy: -32.299 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: 470 Temperature: 0.950000 Total energy: -367.542007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.542007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.542007 (E_RNA) where: Base-Base interactions energy: -247.489 where: short stacking energy: -117.321 Base-Backbone interact. energy: -0.102 local terms energy: -119.950172 where: bonds (distance) C4'-P energy: -22.337 bonds (distance) P-C4' energy: -24.510 flat angles C4'-P-C4' energy: -23.537 flat angles P-C4'-P energy: -16.547 tors. eta vs tors. theta energy: -33.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -362.944756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.944756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.944756 (E_RNA) where: Base-Base interactions energy: -239.838 where: short stacking energy: -112.124 Base-Backbone interact. energy: -2.088 local terms energy: -121.018462 where: bonds (distance) C4'-P energy: -26.058 bonds (distance) P-C4' energy: -24.451 flat angles C4'-P-C4' energy: -18.020 flat angles P-C4'-P energy: -17.255 tors. eta vs tors. theta energy: -35.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -362.343682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.343682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.343682 (E_RNA) where: Base-Base interactions energy: -245.211 where: short stacking energy: -104.635 Base-Backbone interact. energy: -1.407 local terms energy: -115.725893 where: bonds (distance) C4'-P energy: -22.194 bonds (distance) P-C4' energy: -24.196 flat angles C4'-P-C4' energy: -19.514 flat angles P-C4'-P energy: -18.519 tors. eta vs tors. theta energy: -31.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -351.551442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.551442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.551442 (E_RNA) where: Base-Base interactions energy: -232.002 where: short stacking energy: -112.373 Base-Backbone interact. energy: -0.352 local terms energy: -119.197280 where: bonds (distance) C4'-P energy: -20.613 bonds (distance) P-C4' energy: -27.072 flat angles C4'-P-C4' energy: -23.348 flat angles P-C4'-P energy: -20.066 tors. eta vs tors. theta energy: -28.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -324.098109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.098109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.098109 (E_RNA) where: Base-Base interactions energy: -218.333 where: short stacking energy: -93.566 Base-Backbone interact. energy: 0.261 local terms energy: -106.026774 where: bonds (distance) C4'-P energy: -21.855 bonds (distance) P-C4' energy: -19.870 flat angles C4'-P-C4' energy: -28.459 flat angles P-C4'-P energy: -14.875 tors. eta vs tors. theta energy: -20.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -248.939500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.939500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.939500 (E_RNA) where: Base-Base interactions energy: -154.265 where: short stacking energy: -75.536 Base-Backbone interact. energy: -0.126 local terms energy: -94.549311 where: bonds (distance) C4'-P energy: -17.924 bonds (distance) P-C4' energy: -27.381 flat angles C4'-P-C4' energy: -22.909 flat angles P-C4'-P energy: -13.116 tors. eta vs tors. theta energy: -13.220 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: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -259.648482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.648482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.648482 (E_RNA) where: Base-Base interactions energy: -174.154 where: short stacking energy: -80.268 Base-Backbone interact. energy: -0.174 local terms energy: -85.320010 where: bonds (distance) C4'-P energy: -19.414 bonds (distance) P-C4' energy: -13.861 flat angles C4'-P-C4' energy: -22.556 flat angles P-C4'-P energy: -13.680 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -190.428867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.428867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.428867 (E_RNA) where: Base-Base interactions energy: -102.327 where: short stacking energy: -55.041 Base-Backbone interact. energy: -0.164 local terms energy: -87.937293 where: bonds (distance) C4'-P energy: -22.096 bonds (distance) P-C4' energy: -22.048 flat angles C4'-P-C4' energy: -21.113 flat angles P-C4'-P energy: -15.053 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: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -184.646197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.646197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.646197 (E_RNA) where: Base-Base interactions energy: -101.677 where: short stacking energy: -58.776 Base-Backbone interact. energy: -0.003 local terms energy: -82.966329 where: bonds (distance) C4'-P energy: -16.970 bonds (distance) P-C4' energy: -23.316 flat angles C4'-P-C4' energy: -18.250 flat angles P-C4'-P energy: -14.963 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: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -400.126426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.126426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.126426 (E_RNA) where: Base-Base interactions energy: -272.612 where: short stacking energy: -129.416 Base-Backbone interact. energy: -0.338 local terms energy: -127.176392 where: bonds (distance) C4'-P energy: -20.999 bonds (distance) P-C4' energy: -22.347 flat angles C4'-P-C4' energy: -28.142 flat angles P-C4'-P energy: -21.355 tors. eta vs tors. theta energy: -34.333 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: 471 Temperature: 0.950000 Total energy: -374.643599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.643599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.643599 (E_RNA) where: Base-Base interactions energy: -250.917 where: short stacking energy: -120.997 Base-Backbone interact. energy: -2.676 local terms energy: -121.051080 where: bonds (distance) C4'-P energy: -22.907 bonds (distance) P-C4' energy: -25.550 flat angles C4'-P-C4' energy: -24.541 flat angles P-C4'-P energy: -15.684 tors. eta vs tors. theta energy: -32.370 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: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -364.635901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.635901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.635901 (E_RNA) where: Base-Base interactions energy: -237.105 where: short stacking energy: -114.976 Base-Backbone interact. energy: -0.235 local terms energy: -127.296059 where: bonds (distance) C4'-P energy: -25.615 bonds (distance) P-C4' energy: -23.630 flat angles C4'-P-C4' energy: -24.267 flat angles P-C4'-P energy: -18.196 tors. eta vs tors. theta energy: -35.587 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: 471 Temperature: 1.050000 Total energy: -352.763963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.763963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.763963 (E_RNA) where: Base-Base interactions energy: -238.606 where: short stacking energy: -111.497 Base-Backbone interact. energy: -0.258 local terms energy: -113.899413 where: bonds (distance) C4'-P energy: -21.885 bonds (distance) P-C4' energy: -22.766 flat angles C4'-P-C4' energy: -19.427 flat angles P-C4'-P energy: -17.833 tors. eta vs tors. theta energy: -31.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -345.812794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.812794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.812794 (E_RNA) where: Base-Base interactions energy: -228.078 where: short stacking energy: -106.455 Base-Backbone interact. energy: -0.150 local terms energy: -117.584556 where: bonds (distance) C4'-P energy: -22.767 bonds (distance) P-C4' energy: -23.150 flat angles C4'-P-C4' energy: -26.207 flat angles P-C4'-P energy: -15.579 tors. eta vs tors. theta energy: -29.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -337.472638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.472638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.472638 (E_RNA) where: Base-Base interactions energy: -232.983 where: short stacking energy: -96.672 Base-Backbone interact. energy: -0.791 local terms energy: -103.698450 where: bonds (distance) C4'-P energy: -21.168 bonds (distance) P-C4' energy: -24.994 flat angles C4'-P-C4' energy: -25.686 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -23.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -242.946728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.946728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.946728 (E_RNA) where: Base-Base interactions energy: -140.856 where: short stacking energy: -67.868 Base-Backbone interact. energy: -0.398 local terms energy: -101.692532 where: bonds (distance) C4'-P energy: -18.755 bonds (distance) P-C4' energy: -23.662 flat angles C4'-P-C4' energy: -24.555 flat angles P-C4'-P energy: -15.604 tors. eta vs tors. theta energy: -19.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -275.349855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.349855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.349855 (E_RNA) where: Base-Base interactions energy: -187.261 where: short stacking energy: -79.549 Base-Backbone interact. energy: -0.286 local terms energy: -87.802394 where: bonds (distance) C4'-P energy: -21.439 bonds (distance) P-C4' energy: -22.510 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -8.998 tors. eta vs tors. theta energy: -22.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -194.913459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.913459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.913459 (E_RNA) where: Base-Base interactions energy: -105.907 where: short stacking energy: -56.254 Base-Backbone interact. energy: -0.179 local terms energy: -88.827889 where: bonds (distance) C4'-P energy: -19.334 bonds (distance) P-C4' energy: -25.022 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -12.633 tors. eta vs tors. theta energy: -17.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -194.858907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.858907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.858907 (E_RNA) where: Base-Base interactions energy: -111.011 where: short stacking energy: -62.361 Base-Backbone interact. energy: -1.095 local terms energy: -82.753699 where: bonds (distance) C4'-P energy: -20.160 bonds (distance) P-C4' energy: -21.076 flat angles C4'-P-C4' energy: -20.316 flat angles P-C4'-P energy: -18.081 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -396.808386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.808386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.808386 (E_RNA) where: Base-Base interactions energy: -265.775 where: short stacking energy: -122.686 Base-Backbone interact. energy: 0.203 local terms energy: -131.236332 where: bonds (distance) C4'-P energy: -19.661 bonds (distance) P-C4' energy: -26.675 flat angles C4'-P-C4' energy: -29.292 flat angles P-C4'-P energy: -21.364 tors. eta vs tors. theta energy: -34.244 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: 3 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -386.306730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.306730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.306730 (E_RNA) where: Base-Base interactions energy: -263.627 where: short stacking energy: -122.631 Base-Backbone interact. energy: -0.380 local terms energy: -122.299841 where: bonds (distance) C4'-P energy: -21.155 bonds (distance) P-C4' energy: -22.127 flat angles C4'-P-C4' energy: -28.091 flat angles P-C4'-P energy: -14.635 tors. eta vs tors. theta energy: -36.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -395.238129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.238129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.238129 (E_RNA) where: Base-Base interactions energy: -268.347 where: short stacking energy: -121.939 Base-Backbone interact. energy: -0.352 local terms energy: -126.538824 where: bonds (distance) C4'-P energy: -22.382 bonds (distance) P-C4' energy: -23.961 flat angles C4'-P-C4' energy: -29.503 flat angles P-C4'-P energy: -17.192 tors. eta vs tors. theta energy: -33.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -364.402240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.402240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.402240 (E_RNA) where: Base-Base interactions energy: -231.764 where: short stacking energy: -122.138 Base-Backbone interact. energy: -1.001 local terms energy: -131.636949 where: bonds (distance) C4'-P energy: -17.636 bonds (distance) P-C4' energy: -26.592 flat angles C4'-P-C4' energy: -28.089 flat angles P-C4'-P energy: -21.146 tors. eta vs tors. theta energy: -38.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -352.199071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.199071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.199071 (E_RNA) where: Base-Base interactions energy: -233.522 where: short stacking energy: -108.236 Base-Backbone interact. energy: 0.536 local terms energy: -119.213293 where: bonds (distance) C4'-P energy: -26.240 bonds (distance) P-C4' energy: -22.059 flat angles C4'-P-C4' energy: -26.124 flat angles P-C4'-P energy: -15.641 tors. eta vs tors. theta energy: -29.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -343.996224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.996224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.996224 (E_RNA) where: Base-Base interactions energy: -225.602 where: short stacking energy: -100.515 Base-Backbone interact. energy: -0.669 local terms energy: -117.725044 where: bonds (distance) C4'-P energy: -25.147 bonds (distance) P-C4' energy: -25.285 flat angles C4'-P-C4' energy: -19.742 flat angles P-C4'-P energy: -18.205 tors. eta vs tors. theta energy: -29.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -248.435257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.435257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.435257 (E_RNA) where: Base-Base interactions energy: -156.736 where: short stacking energy: -77.602 Base-Backbone interact. energy: 0.768 local terms energy: -92.467793 where: bonds (distance) C4'-P energy: -20.764 bonds (distance) P-C4' energy: -16.226 flat angles C4'-P-C4' energy: -24.622 flat angles P-C4'-P energy: -14.236 tors. eta vs tors. theta energy: -16.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -220.256694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.256694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.256694 (E_RNA) where: Base-Base interactions energy: -134.735 where: short stacking energy: -55.800 Base-Backbone interact. energy: -0.608 local terms energy: -84.913874 where: bonds (distance) C4'-P energy: -17.646 bonds (distance) P-C4' energy: -23.683 flat angles C4'-P-C4' energy: -21.226 flat angles P-C4'-P energy: -13.997 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -191.276469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.276469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.276469 (E_RNA) where: Base-Base interactions energy: -110.160 where: short stacking energy: -55.110 Base-Backbone interact. energy: -0.231 local terms energy: -80.885904 where: bonds (distance) C4'-P energy: -21.981 bonds (distance) P-C4' energy: -17.791 flat angles C4'-P-C4' energy: -22.113 flat angles P-C4'-P energy: -13.704 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -169.495746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.495746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.495746 (E_RNA) where: Base-Base interactions energy: -98.932 where: short stacking energy: -50.791 Base-Backbone interact. energy: -1.925 local terms energy: -68.639364 where: bonds (distance) C4'-P energy: -20.697 bonds (distance) P-C4' energy: -15.786 flat angles C4'-P-C4' energy: -23.683 flat angles P-C4'-P energy: -2.566 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: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -395.563565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.563565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.563565 (E_RNA) where: Base-Base interactions energy: -277.148 where: short stacking energy: -111.033 Base-Backbone interact. energy: -0.282 local terms energy: -118.133124 where: bonds (distance) C4'-P energy: -21.044 bonds (distance) P-C4' energy: -24.140 flat angles C4'-P-C4' energy: -23.672 flat angles P-C4'-P energy: -18.194 tors. eta vs tors. theta energy: -31.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -400.784852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.784852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.784852 (E_RNA) where: Base-Base interactions energy: -276.932 where: short stacking energy: -125.090 Base-Backbone interact. energy: -0.435 local terms energy: -123.417694 where: bonds (distance) C4'-P energy: -19.297 bonds (distance) P-C4' energy: -24.505 flat angles C4'-P-C4' energy: -22.165 flat angles P-C4'-P energy: -20.889 tors. eta vs tors. theta energy: -36.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -374.817890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.817890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.817890 (E_RNA) where: Base-Base interactions energy: -260.475 where: short stacking energy: -106.115 Base-Backbone interact. energy: -0.131 local terms energy: -114.211451 where: bonds (distance) C4'-P energy: -21.483 bonds (distance) P-C4' energy: -23.242 flat angles C4'-P-C4' energy: -23.330 flat angles P-C4'-P energy: -17.216 tors. eta vs tors. theta energy: -28.940 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: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -361.020408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.020408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.020408 (E_RNA) where: Base-Base interactions energy: -244.101 where: short stacking energy: -112.747 Base-Backbone interact. energy: -0.959 local terms energy: -115.960644 where: bonds (distance) C4'-P energy: -18.789 bonds (distance) P-C4' energy: -23.232 flat angles C4'-P-C4' energy: -26.318 flat angles P-C4'-P energy: -18.923 tors. eta vs tors. theta energy: -28.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -354.612110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.612110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.612110 (E_RNA) where: Base-Base interactions energy: -233.805 where: short stacking energy: -121.535 Base-Backbone interact. energy: -0.553 local terms energy: -120.254106 where: bonds (distance) C4'-P energy: -22.663 bonds (distance) P-C4' energy: -22.502 flat angles C4'-P-C4' energy: -23.307 flat angles P-C4'-P energy: -15.138 tors. eta vs tors. theta energy: -36.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -335.492052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.492052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.492052 (E_RNA) where: Base-Base interactions energy: -227.067 where: short stacking energy: -103.803 Base-Backbone interact. energy: -0.095 local terms energy: -108.329901 where: bonds (distance) C4'-P energy: -22.021 bonds (distance) P-C4' energy: -22.829 flat angles C4'-P-C4' energy: -19.817 flat angles P-C4'-P energy: -15.106 tors. eta vs tors. theta energy: -28.557 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: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -239.867607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.867607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.867607 (E_RNA) where: Base-Base interactions energy: -138.874 where: short stacking energy: -69.311 Base-Backbone interact. energy: -0.826 local terms energy: -100.167977 where: bonds (distance) C4'-P energy: -22.439 bonds (distance) P-C4' energy: -26.535 flat angles C4'-P-C4' energy: -21.691 flat angles P-C4'-P energy: -15.574 tors. eta vs tors. theta energy: -13.929 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: 8, replica: 10 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -229.499330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.499330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.499330 (E_RNA) where: Base-Base interactions energy: -142.068 where: short stacking energy: -66.161 Base-Backbone interact. energy: 0.666 local terms energy: -88.097499 where: bonds (distance) C4'-P energy: -17.099 bonds (distance) P-C4' energy: -23.933 flat angles C4'-P-C4' energy: -22.627 flat angles P-C4'-P energy: -16.232 tors. eta vs tors. theta energy: -8.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -237.224157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.224157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.224157 (E_RNA) where: Base-Base interactions energy: -156.213 where: short stacking energy: -62.077 Base-Backbone interact. energy: -1.214 local terms energy: -79.796942 where: bonds (distance) C4'-P energy: -19.025 bonds (distance) P-C4' energy: -23.712 flat angles C4'-P-C4' energy: -20.678 flat angles P-C4'-P energy: -9.177 tors. eta vs tors. theta energy: -7.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -178.383112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.383112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.383112 (E_RNA) where: Base-Base interactions energy: -98.780 where: short stacking energy: -53.697 Base-Backbone interact. energy: -0.156 local terms energy: -79.446983 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -26.890 flat angles C4'-P-C4' energy: -23.951 flat angles P-C4'-P energy: -9.983 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: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -397.093755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.093755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.093755 (E_RNA) where: Base-Base interactions energy: -262.040 where: short stacking energy: -113.484 Base-Backbone interact. energy: -0.939 local terms energy: -134.115186 where: bonds (distance) C4'-P energy: -28.989 bonds (distance) P-C4' energy: -22.141 flat angles C4'-P-C4' energy: -27.264 flat angles P-C4'-P energy: -18.455 tors. eta vs tors. theta energy: -37.266 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: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -398.305899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.305899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.305899 (E_RNA) where: Base-Base interactions energy: -269.301 where: short stacking energy: -114.768 Base-Backbone interact. energy: -0.190 local terms energy: -128.815582 where: bonds (distance) C4'-P energy: -22.505 bonds (distance) P-C4' energy: -24.704 flat angles C4'-P-C4' energy: -27.655 flat angles P-C4'-P energy: -18.882 tors. eta vs tors. theta energy: -35.069 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: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -360.818524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.818524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.818524 (E_RNA) where: Base-Base interactions energy: -248.452 where: short stacking energy: -115.004 Base-Backbone interact. energy: -0.732 local terms energy: -111.634307 where: bonds (distance) C4'-P energy: -17.412 bonds (distance) P-C4' energy: -25.324 flat angles C4'-P-C4' energy: -23.825 flat angles P-C4'-P energy: -15.354 tors. eta vs tors. theta energy: -29.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -376.863494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.863494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.863494 (E_RNA) where: Base-Base interactions energy: -260.790 where: short stacking energy: -117.619 Base-Backbone interact. energy: 4.383 local terms energy: -120.457253 where: bonds (distance) C4'-P energy: -19.103 bonds (distance) P-C4' energy: -23.127 flat angles C4'-P-C4' energy: -26.752 flat angles P-C4'-P energy: -20.425 tors. eta vs tors. theta energy: -31.052 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: 5, replica: 9 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -354.992939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.992939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.992939 (E_RNA) where: Base-Base interactions energy: -242.772 where: short stacking energy: -112.432 Base-Backbone interact. energy: -0.793 local terms energy: -111.427408 where: bonds (distance) C4'-P energy: -16.474 bonds (distance) P-C4' energy: -25.042 flat angles C4'-P-C4' energy: -25.802 flat angles P-C4'-P energy: -12.515 tors. eta vs tors. theta energy: -31.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -328.320900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.320900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.320900 (E_RNA) where: Base-Base interactions energy: -213.352 where: short stacking energy: -98.296 Base-Backbone interact. energy: -0.575 local terms energy: -114.394393 where: bonds (distance) C4'-P energy: -21.889 bonds (distance) P-C4' energy: -24.594 flat angles C4'-P-C4' energy: -23.133 flat angles P-C4'-P energy: -16.767 tors. eta vs tors. theta energy: -28.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -225.627049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.627049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.627049 (E_RNA) where: Base-Base interactions energy: -142.083 where: short stacking energy: -63.350 Base-Backbone interact. energy: -0.818 local terms energy: -82.725960 where: bonds (distance) C4'-P energy: -18.654 bonds (distance) P-C4' energy: -19.489 flat angles C4'-P-C4' energy: -21.432 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -12.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -234.613737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.613737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.613737 (E_RNA) where: Base-Base interactions energy: -167.537 where: short stacking energy: -74.121 Base-Backbone interact. energy: -0.414 local terms energy: -66.662785 where: bonds (distance) C4'-P energy: -19.421 bonds (distance) P-C4' energy: -18.178 flat angles C4'-P-C4' energy: -9.926 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -9.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -230.995587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.995587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.995587 (E_RNA) where: Base-Base interactions energy: -142.982 where: short stacking energy: -66.379 Base-Backbone interact. energy: 1.588 local terms energy: -89.601583 where: bonds (distance) C4'-P energy: -16.196 bonds (distance) P-C4' energy: -26.984 flat angles C4'-P-C4' energy: -24.260 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -12.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -176.600678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.600678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.600678 (E_RNA) where: Base-Base interactions energy: -95.040 where: short stacking energy: -55.346 Base-Backbone interact. energy: 0.495 local terms energy: -82.055552 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -22.397 flat angles C4'-P-C4' energy: -18.938 flat angles P-C4'-P energy: -12.474 tors. eta vs tors. theta energy: -12.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -403.191074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.191074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.191074 (E_RNA) where: Base-Base interactions energy: -274.372 where: short stacking energy: -112.755 Base-Backbone interact. energy: -0.992 local terms energy: -127.827112 where: bonds (distance) C4'-P energy: -25.084 bonds (distance) P-C4' energy: -22.168 flat angles C4'-P-C4' energy: -25.073 flat angles P-C4'-P energy: -18.841 tors. eta vs tors. theta energy: -36.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -400.753642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.753642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.753642 (E_RNA) where: Base-Base interactions energy: -277.801 where: short stacking energy: -125.200 Base-Backbone interact. energy: -0.131 local terms energy: -122.821034 where: bonds (distance) C4'-P energy: -23.213 bonds (distance) P-C4' energy: -19.133 flat angles C4'-P-C4' energy: -26.396 flat angles P-C4'-P energy: -19.323 tors. eta vs tors. theta energy: -34.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -353.125323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.125323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.125323 (E_RNA) where: Base-Base interactions energy: -235.917 where: short stacking energy: -97.342 Base-Backbone interact. energy: -0.279 local terms energy: -116.929920 where: bonds (distance) C4'-P energy: -23.354 bonds (distance) P-C4' energy: -19.700 flat angles C4'-P-C4' energy: -24.542 flat angles P-C4'-P energy: -18.680 tors. eta vs tors. theta energy: -30.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -362.320755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.320755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.320755 (E_RNA) where: Base-Base interactions energy: -244.309 where: short stacking energy: -102.341 Base-Backbone interact. energy: -1.105 local terms energy: -116.906204 where: bonds (distance) C4'-P energy: -22.903 bonds (distance) P-C4' energy: -27.777 flat angles C4'-P-C4' energy: -25.418 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -29.119 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: 5, replica: 9 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -362.455427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.455427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.455427 (E_RNA) where: Base-Base interactions energy: -246.742 where: short stacking energy: -109.744 Base-Backbone interact. energy: -0.088 local terms energy: -115.624733 where: bonds (distance) C4'-P energy: -16.139 bonds (distance) P-C4' energy: -24.776 flat angles C4'-P-C4' energy: -25.991 flat angles P-C4'-P energy: -16.686 tors. eta vs tors. theta energy: -32.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -331.842416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.842416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.842416 (E_RNA) where: Base-Base interactions energy: -215.230 where: short stacking energy: -93.243 Base-Backbone interact. energy: -0.453 local terms energy: -116.159658 where: bonds (distance) C4'-P energy: -24.872 bonds (distance) P-C4' energy: -17.619 flat angles C4'-P-C4' energy: -27.485 flat angles P-C4'-P energy: -15.090 tors. eta vs tors. theta energy: -31.094 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: 10 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -245.952718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.952718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.952718 (E_RNA) where: Base-Base interactions energy: -147.580 where: short stacking energy: -66.056 Base-Backbone interact. energy: -0.485 local terms energy: -97.888018 where: bonds (distance) C4'-P energy: -17.977 bonds (distance) P-C4' energy: -24.646 flat angles C4'-P-C4' energy: -25.125 flat angles P-C4'-P energy: -20.790 tors. eta vs tors. theta energy: -9.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -235.213030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.213030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.213030 (E_RNA) where: Base-Base interactions energy: -150.879 where: short stacking energy: -71.009 Base-Backbone interact. energy: -1.467 local terms energy: -82.867579 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -19.146 flat angles C4'-P-C4' energy: -17.566 flat angles P-C4'-P energy: -15.770 tors. eta vs tors. theta energy: -17.213 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: 6 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -228.434918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.434918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.434918 (E_RNA) where: Base-Base interactions energy: -142.914 where: short stacking energy: -74.563 Base-Backbone interact. energy: -0.230 local terms energy: -85.290511 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -20.959 flat angles C4'-P-C4' energy: -24.324 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -13.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -181.930042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.930042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.930042 (E_RNA) where: Base-Base interactions energy: -103.105 where: short stacking energy: -57.527 Base-Backbone interact. energy: -0.110 local terms energy: -78.715479 where: bonds (distance) C4'-P energy: -19.479 bonds (distance) P-C4' energy: -15.342 flat angles C4'-P-C4' energy: -19.557 flat angles P-C4'-P energy: -19.603 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -420.255403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.255403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.255403 (E_RNA) where: Base-Base interactions energy: -294.792 where: short stacking energy: -130.543 Base-Backbone interact. energy: 0.962 local terms energy: -126.425516 where: bonds (distance) C4'-P energy: -25.131 bonds (distance) P-C4' energy: -24.189 flat angles C4'-P-C4' energy: -26.514 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -39.145 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: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -389.739115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.739115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.739115 (E_RNA) where: Base-Base interactions energy: -263.030 where: short stacking energy: -116.180 Base-Backbone interact. energy: -1.210 local terms energy: -125.499248 where: bonds (distance) C4'-P energy: -22.482 bonds (distance) P-C4' energy: -24.608 flat angles C4'-P-C4' energy: -25.906 flat angles P-C4'-P energy: -18.798 tors. eta vs tors. theta energy: -33.706 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: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -357.776371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.776371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.776371 (E_RNA) where: Base-Base interactions energy: -243.012 where: short stacking energy: -93.216 Base-Backbone interact. energy: -0.528 local terms energy: -114.236239 where: bonds (distance) C4'-P energy: -19.535 bonds (distance) P-C4' energy: -25.467 flat angles C4'-P-C4' energy: -26.982 flat angles P-C4'-P energy: -16.176 tors. eta vs tors. theta energy: -26.075 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: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -348.639930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.639930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.639930 (E_RNA) where: Base-Base interactions energy: -232.204 where: short stacking energy: -104.517 Base-Backbone interact. energy: -1.112 local terms energy: -115.323970 where: bonds (distance) C4'-P energy: -18.933 bonds (distance) P-C4' energy: -24.993 flat angles C4'-P-C4' energy: -22.970 flat angles P-C4'-P energy: -15.457 tors. eta vs tors. theta energy: -32.971 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: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -339.236338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.236338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.236338 (E_RNA) where: Base-Base interactions energy: -226.309 where: short stacking energy: -108.202 Base-Backbone interact. energy: -0.097 local terms energy: -112.829751 where: bonds (distance) C4'-P energy: -21.312 bonds (distance) P-C4' energy: -21.451 flat angles C4'-P-C4' energy: -23.377 flat angles P-C4'-P energy: -16.052 tors. eta vs tors. theta energy: -30.638 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: 9 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -343.810594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.810594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.810594 (E_RNA) where: Base-Base interactions energy: -227.949 where: short stacking energy: -97.198 Base-Backbone interact. energy: -0.471 local terms energy: -115.390694 where: bonds (distance) C4'-P energy: -23.739 bonds (distance) P-C4' energy: -20.959 flat angles C4'-P-C4' energy: -26.154 flat angles P-C4'-P energy: -18.600 tors. eta vs tors. theta energy: -25.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -244.325352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.325352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.325352 (E_RNA) where: Base-Base interactions energy: -143.243 where: short stacking energy: -59.847 Base-Backbone interact. energy: -0.216 local terms energy: -100.866338 where: bonds (distance) C4'-P energy: -27.780 bonds (distance) P-C4' energy: -26.138 flat angles C4'-P-C4' energy: -20.530 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -14.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -251.017780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.017780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.017780 (E_RNA) where: Base-Base interactions energy: -156.701 where: short stacking energy: -64.814 Base-Backbone interact. energy: -0.420 local terms energy: -93.896515 where: bonds (distance) C4'-P energy: -22.460 bonds (distance) P-C4' energy: -23.461 flat angles C4'-P-C4' energy: -21.097 flat angles P-C4'-P energy: -14.892 tors. eta vs tors. theta energy: -11.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -245.908420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.908420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.908420 (E_RNA) where: Base-Base interactions energy: -164.406 where: short stacking energy: -77.475 Base-Backbone interact. energy: -0.434 local terms energy: -81.068595 where: bonds (distance) C4'-P energy: -14.531 bonds (distance) P-C4' energy: -20.710 flat angles C4'-P-C4' energy: -17.900 flat angles P-C4'-P energy: -12.517 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -175.069223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.069223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.069223 (E_RNA) where: Base-Base interactions energy: -104.942 where: short stacking energy: -54.302 Base-Backbone interact. energy: -0.956 local terms energy: -69.171277 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -20.356 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -16.742 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -414.924666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.924666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.924666 (E_RNA) where: Base-Base interactions energy: -289.971 where: short stacking energy: -120.571 Base-Backbone interact. energy: -0.005 local terms energy: -124.948363 where: bonds (distance) C4'-P energy: -22.638 bonds (distance) P-C4' energy: -26.251 flat angles C4'-P-C4' energy: -24.022 flat angles P-C4'-P energy: -12.795 tors. eta vs tors. theta energy: -39.242 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: 477 Temperature: 0.950000 Total energy: -370.531963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.531963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.531963 (E_RNA) where: Base-Base interactions energy: -237.749 where: short stacking energy: -110.254 Base-Backbone interact. energy: -0.443 local terms energy: -132.339804 where: bonds (distance) C4'-P energy: -25.928 bonds (distance) P-C4' energy: -26.822 flat angles C4'-P-C4' energy: -26.903 flat angles P-C4'-P energy: -21.925 tors. eta vs tors. theta energy: -30.761 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: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -375.469613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.469613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.469613 (E_RNA) where: Base-Base interactions energy: -248.189 where: short stacking energy: -116.533 Base-Backbone interact. energy: -1.575 local terms energy: -125.705694 where: bonds (distance) C4'-P energy: -25.904 bonds (distance) P-C4' energy: -25.545 flat angles C4'-P-C4' energy: -26.359 flat angles P-C4'-P energy: -14.748 tors. eta vs tors. theta energy: -33.150 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: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -346.642072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.642072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.642072 (E_RNA) where: Base-Base interactions energy: -233.915 where: short stacking energy: -101.477 Base-Backbone interact. energy: -0.334 local terms energy: -112.392535 where: bonds (distance) C4'-P energy: -17.657 bonds (distance) P-C4' energy: -26.645 flat angles C4'-P-C4' energy: -22.071 flat angles P-C4'-P energy: -17.700 tors. eta vs tors. theta energy: -28.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -342.412767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.412767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.412767 (E_RNA) where: Base-Base interactions energy: -223.621 where: short stacking energy: -113.006 Base-Backbone interact. energy: -0.275 local terms energy: -118.516983 where: bonds (distance) C4'-P energy: -18.289 bonds (distance) P-C4' energy: -23.991 flat angles C4'-P-C4' energy: -26.388 flat angles P-C4'-P energy: -16.878 tors. eta vs tors. theta energy: -32.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -349.094144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.094144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.094144 (E_RNA) where: Base-Base interactions energy: -237.159 where: short stacking energy: -94.096 Base-Backbone interact. energy: -0.193 local terms energy: -111.742964 where: bonds (distance) C4'-P energy: -14.519 bonds (distance) P-C4' energy: -23.671 flat angles C4'-P-C4' energy: -22.698 flat angles P-C4'-P energy: -21.517 tors. eta vs tors. theta energy: -29.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -255.266601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.266601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.266601 (E_RNA) where: Base-Base interactions energy: -155.474 where: short stacking energy: -77.711 Base-Backbone interact. energy: -0.304 local terms energy: -99.489067 where: bonds (distance) C4'-P energy: -21.221 bonds (distance) P-C4' energy: -22.859 flat angles C4'-P-C4' energy: -22.445 flat angles P-C4'-P energy: -15.904 tors. eta vs tors. theta energy: -17.061 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: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -247.400687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.400687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.400687 (E_RNA) where: Base-Base interactions energy: -151.390 where: short stacking energy: -71.457 Base-Backbone interact. energy: -0.912 local terms energy: -95.099027 where: bonds (distance) C4'-P energy: -27.203 bonds (distance) P-C4' energy: -21.139 flat angles C4'-P-C4' energy: -19.171 flat angles P-C4'-P energy: -12.926 tors. eta vs tors. theta energy: -14.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -217.188482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.188482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.188482 (E_RNA) where: Base-Base interactions energy: -128.881 where: short stacking energy: -50.283 Base-Backbone interact. energy: -0.380 local terms energy: -87.927371 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -24.631 flat angles C4'-P-C4' energy: -22.701 flat angles P-C4'-P energy: -14.181 tors. eta vs tors. theta energy: -10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -181.552177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.552177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.552177 (E_RNA) where: Base-Base interactions energy: -106.888 where: short stacking energy: -55.295 Base-Backbone interact. energy: -0.002 local terms energy: -74.662537 where: bonds (distance) C4'-P energy: -20.109 bonds (distance) P-C4' energy: -20.132 flat angles C4'-P-C4' energy: -17.586 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -13.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -414.969158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.969158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.969158 (E_RNA) where: Base-Base interactions energy: -284.191 where: short stacking energy: -120.538 Base-Backbone interact. energy: -0.089 local terms energy: -130.688851 where: bonds (distance) C4'-P energy: -24.282 bonds (distance) P-C4' energy: -27.827 flat angles C4'-P-C4' energy: -27.651 flat angles P-C4'-P energy: -12.912 tors. eta vs tors. theta energy: -38.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -374.189828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.189828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.189828 (E_RNA) where: Base-Base interactions energy: -251.677 where: short stacking energy: -107.713 Base-Backbone interact. energy: 0.401 local terms energy: -122.913238 where: bonds (distance) C4'-P energy: -22.227 bonds (distance) P-C4' energy: -23.544 flat angles C4'-P-C4' energy: -25.073 flat angles P-C4'-P energy: -21.043 tors. eta vs tors. theta energy: -31.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -372.162558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.162558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.162558 (E_RNA) where: Base-Base interactions energy: -246.968 where: short stacking energy: -111.271 Base-Backbone interact. energy: -1.036 local terms energy: -124.158456 where: bonds (distance) C4'-P energy: -22.369 bonds (distance) P-C4' energy: -22.219 flat angles C4'-P-C4' energy: -27.308 flat angles P-C4'-P energy: -16.967 tors. eta vs tors. theta energy: -35.294 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: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -350.691671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.691671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.691671 (E_RNA) where: Base-Base interactions energy: -239.589 where: short stacking energy: -108.750 Base-Backbone interact. energy: -0.192 local terms energy: -110.910697 where: bonds (distance) C4'-P energy: -20.282 bonds (distance) P-C4' energy: -23.478 flat angles C4'-P-C4' energy: -23.493 flat angles P-C4'-P energy: -15.091 tors. eta vs tors. theta energy: -28.567 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: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -356.626366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.626366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.626366 (E_RNA) where: Base-Base interactions energy: -241.682 where: short stacking energy: -106.793 Base-Backbone interact. energy: -0.056 local terms energy: -114.888762 where: bonds (distance) C4'-P energy: -22.724 bonds (distance) P-C4' energy: -23.797 flat angles C4'-P-C4' energy: -21.853 flat angles P-C4'-P energy: -19.440 tors. eta vs tors. theta energy: -27.075 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: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -338.839000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.839000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.839000 (E_RNA) where: Base-Base interactions energy: -219.546 where: short stacking energy: -104.976 Base-Backbone interact. energy: -0.497 local terms energy: -118.795848 where: bonds (distance) C4'-P energy: -22.223 bonds (distance) P-C4' energy: -18.260 flat angles C4'-P-C4' energy: -26.071 flat angles P-C4'-P energy: -17.866 tors. eta vs tors. theta energy: -34.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -263.806846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.806846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.806846 (E_RNA) where: Base-Base interactions energy: -158.931 where: short stacking energy: -74.468 Base-Backbone interact. energy: 0.705 local terms energy: -105.581050 where: bonds (distance) C4'-P energy: -26.961 bonds (distance) P-C4' energy: -24.105 flat angles C4'-P-C4' energy: -22.782 flat angles P-C4'-P energy: -17.506 tors. eta vs tors. theta energy: -14.227 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: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -248.798876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.798876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.798876 (E_RNA) where: Base-Base interactions energy: -156.698 where: short stacking energy: -75.817 Base-Backbone interact. energy: -0.435 local terms energy: -91.665246 where: bonds (distance) C4'-P energy: -16.179 bonds (distance) P-C4' energy: -17.871 flat angles C4'-P-C4' energy: -24.333 flat angles P-C4'-P energy: -14.560 tors. eta vs tors. theta energy: -18.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -176.004905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.004905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.004905 (E_RNA) where: Base-Base interactions energy: -111.414 where: short stacking energy: -56.691 Base-Backbone interact. energy: 4.564 local terms energy: -69.154620 where: bonds (distance) C4'-P energy: -19.860 bonds (distance) P-C4' energy: -16.767 flat angles C4'-P-C4' energy: -21.649 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -191.916770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.916770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.916770 (E_RNA) where: Base-Base interactions energy: -124.575 where: short stacking energy: -54.400 Base-Backbone interact. energy: -0.297 local terms energy: -67.044855 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -18.784 flat angles C4'-P-C4' energy: -23.219 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -0.578 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: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -406.893567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.893567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.893567 (E_RNA) where: Base-Base interactions energy: -289.188 where: short stacking energy: -118.793 Base-Backbone interact. energy: -0.007 local terms energy: -117.698430 where: bonds (distance) C4'-P energy: -21.861 bonds (distance) P-C4' energy: -18.111 flat angles C4'-P-C4' energy: -26.134 flat angles P-C4'-P energy: -14.657 tors. eta vs tors. theta energy: -36.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -379.393161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.393161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.393161 (E_RNA) where: Base-Base interactions energy: -259.428 where: short stacking energy: -92.274 Base-Backbone interact. energy: -0.065 local terms energy: -119.899961 where: bonds (distance) C4'-P energy: -27.229 bonds (distance) P-C4' energy: -24.668 flat angles C4'-P-C4' energy: -24.344 flat angles P-C4'-P energy: -12.972 tors. eta vs tors. theta energy: -30.687 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: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -385.324196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.324196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.324196 (E_RNA) where: Base-Base interactions energy: -257.052 where: short stacking energy: -121.388 Base-Backbone interact. energy: -0.087 local terms energy: -128.185466 where: bonds (distance) C4'-P energy: -22.837 bonds (distance) P-C4' energy: -24.341 flat angles C4'-P-C4' energy: -25.756 flat angles P-C4'-P energy: -18.628 tors. eta vs tors. theta energy: -36.624 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: 479 Temperature: 1.050000 Total energy: -379.427198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.427198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.427198 (E_RNA) where: Base-Base interactions energy: -263.728 where: short stacking energy: -113.784 Base-Backbone interact. energy: -0.144 local terms energy: -115.555436 where: bonds (distance) C4'-P energy: -22.870 bonds (distance) P-C4' energy: -23.594 flat angles C4'-P-C4' energy: -25.228 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -31.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -336.967773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.967773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.967773 (E_RNA) where: Base-Base interactions energy: -222.146 where: short stacking energy: -101.196 Base-Backbone interact. energy: 0.696 local terms energy: -115.517317 where: bonds (distance) C4'-P energy: -24.575 bonds (distance) P-C4' energy: -18.860 flat angles C4'-P-C4' energy: -24.248 flat angles P-C4'-P energy: -21.715 tors. eta vs tors. theta energy: -26.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -265.104615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.104615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.104615 (E_RNA) where: Base-Base interactions energy: -167.603 where: short stacking energy: -74.381 Base-Backbone interact. energy: -0.033 local terms energy: -97.468483 where: bonds (distance) C4'-P energy: -18.244 bonds (distance) P-C4' energy: -24.858 flat angles C4'-P-C4' energy: -19.716 flat angles P-C4'-P energy: -13.669 tors. eta vs tors. theta energy: -20.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -336.713956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.713956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.713956 (E_RNA) where: Base-Base interactions energy: -222.994 where: short stacking energy: -109.587 Base-Backbone interact. energy: -0.077 local terms energy: -113.643041 where: bonds (distance) C4'-P energy: -22.684 bonds (distance) P-C4' energy: -24.059 flat angles C4'-P-C4' energy: -22.011 flat angles P-C4'-P energy: -14.068 tors. eta vs tors. theta energy: -30.821 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: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -241.973162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.973162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.973162 (E_RNA) where: Base-Base interactions energy: -152.505 where: short stacking energy: -70.262 Base-Backbone interact. energy: -1.044 local terms energy: -88.423740 where: bonds (distance) C4'-P energy: -22.772 bonds (distance) P-C4' energy: -19.420 flat angles C4'-P-C4' energy: -21.334 flat angles P-C4'-P energy: -8.040 tors. eta vs tors. theta energy: -16.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -198.248219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.248219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.248219 (E_RNA) where: Base-Base interactions energy: -114.879 where: short stacking energy: -59.441 Base-Backbone interact. energy: -0.714 local terms energy: -82.654623 where: bonds (distance) C4'-P energy: -22.681 bonds (distance) P-C4' energy: -17.641 flat angles C4'-P-C4' energy: -25.438 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -10.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -231.190642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.190642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.190642 (E_RNA) where: Base-Base interactions energy: -151.293 where: short stacking energy: -70.166 Base-Backbone interact. energy: 0.003 local terms energy: -79.899914 where: bonds (distance) C4'-P energy: -19.586 bonds (distance) P-C4' energy: -20.619 flat angles C4'-P-C4' energy: -17.276 flat angles P-C4'-P energy: -12.501 tors. eta vs tors. theta energy: -9.918 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: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -402.219798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.219798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.219798 (E_RNA) where: Base-Base interactions energy: -272.443 where: short stacking energy: -120.657 Base-Backbone interact. energy: -0.310 local terms energy: -129.466574 where: bonds (distance) C4'-P energy: -27.075 bonds (distance) P-C4' energy: -24.798 flat angles C4'-P-C4' energy: -27.203 flat angles P-C4'-P energy: -15.831 tors. eta vs tors. theta energy: -34.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -382.173285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.173285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.173285 (E_RNA) where: Base-Base interactions energy: -271.642 where: short stacking energy: -119.567 Base-Backbone interact. energy: -0.261 local terms energy: -110.270317 where: bonds (distance) C4'-P energy: -18.761 bonds (distance) P-C4' energy: -23.456 flat angles C4'-P-C4' energy: -22.310 flat angles P-C4'-P energy: -14.180 tors. eta vs tors. theta energy: -31.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -389.134921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.134921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.134921 (E_RNA) where: Base-Base interactions energy: -272.093 where: short stacking energy: -118.322 Base-Backbone interact. energy: 0.163 local terms energy: -117.205892 where: bonds (distance) C4'-P energy: -22.472 bonds (distance) P-C4' energy: -26.558 flat angles C4'-P-C4' energy: -23.037 flat angles P-C4'-P energy: -15.167 tors. eta vs tors. theta energy: -29.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -349.378867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.378867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.378867 (E_RNA) where: Base-Base interactions energy: -232.562 where: short stacking energy: -109.932 Base-Backbone interact. energy: -0.131 local terms energy: -116.685580 where: bonds (distance) C4'-P energy: -24.475 bonds (distance) P-C4' energy: -16.542 flat angles C4'-P-C4' energy: -25.424 flat angles P-C4'-P energy: -18.266 tors. eta vs tors. theta energy: -31.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -354.024759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.024759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.024759 (E_RNA) where: Base-Base interactions energy: -233.178 where: short stacking energy: -97.108 Base-Backbone interact. energy: -2.613 local terms energy: -118.233521 where: bonds (distance) C4'-P energy: -18.983 bonds (distance) P-C4' energy: -22.099 flat angles C4'-P-C4' energy: -26.214 flat angles P-C4'-P energy: -17.663 tors. eta vs tors. theta energy: -33.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -263.319946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.319946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.319946 (E_RNA) where: Base-Base interactions energy: -164.536 where: short stacking energy: -90.535 Base-Backbone interact. energy: -0.073 local terms energy: -98.711473 where: bonds (distance) C4'-P energy: -20.731 bonds (distance) P-C4' energy: -19.255 flat angles C4'-P-C4' energy: -23.585 flat angles P-C4'-P energy: -14.641 tors. eta vs tors. theta energy: -20.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -328.949740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.949740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.949740 (E_RNA) where: Base-Base interactions energy: -216.654 where: short stacking energy: -110.174 Base-Backbone interact. energy: -0.693 local terms energy: -111.603060 where: bonds (distance) C4'-P energy: -18.790 bonds (distance) P-C4' energy: -19.956 flat angles C4'-P-C4' energy: -23.101 flat angles P-C4'-P energy: -18.418 tors. eta vs tors. theta energy: -31.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -244.239062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.239062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.239062 (E_RNA) where: Base-Base interactions energy: -153.123 where: short stacking energy: -67.216 Base-Backbone interact. energy: 1.873 local terms energy: -92.988628 where: bonds (distance) C4'-P energy: -22.889 bonds (distance) P-C4' energy: -22.615 flat angles C4'-P-C4' energy: -18.657 flat angles P-C4'-P energy: -13.539 tors. eta vs tors. theta energy: -15.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -230.791451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.791451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.791451 (E_RNA) where: Base-Base interactions energy: -158.441 where: short stacking energy: -69.204 Base-Backbone interact. energy: 0.139 local terms energy: -72.489985 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -15.665 flat angles C4'-P-C4' energy: -18.970 flat angles P-C4'-P energy: -15.439 tors. eta vs tors. theta energy: -8.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -177.560766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.560766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.560766 (E_RNA) where: Base-Base interactions energy: -102.313 where: short stacking energy: -53.176 Base-Backbone interact. energy: -0.341 local terms energy: -74.907085 where: bonds (distance) C4'-P energy: -21.148 bonds (distance) P-C4' energy: -17.397 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -15.972 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: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -412.385418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.385418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.385418 (E_RNA) where: Base-Base interactions energy: -283.915 where: short stacking energy: -118.080 Base-Backbone interact. energy: -1.031 local terms energy: -127.439381 where: bonds (distance) C4'-P energy: -19.972 bonds (distance) P-C4' energy: -27.258 flat angles C4'-P-C4' energy: -26.831 flat angles P-C4'-P energy: -18.438 tors. eta vs tors. theta energy: -34.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -372.335535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.335535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.335535 (E_RNA) where: Base-Base interactions energy: -239.833 where: short stacking energy: -108.441 Base-Backbone interact. energy: -2.048 local terms energy: -130.455448 where: bonds (distance) C4'-P energy: -24.986 bonds (distance) P-C4' energy: -25.079 flat angles C4'-P-C4' energy: -26.409 flat angles P-C4'-P energy: -20.167 tors. eta vs tors. theta energy: -33.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -374.187993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.187993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.187993 (E_RNA) where: Base-Base interactions energy: -258.508 where: short stacking energy: -110.736 Base-Backbone interact. energy: -0.805 local terms energy: -114.874860 where: bonds (distance) C4'-P energy: -20.822 bonds (distance) P-C4' energy: -26.472 flat angles C4'-P-C4' energy: -25.341 flat angles P-C4'-P energy: -14.801 tors. eta vs tors. theta energy: -27.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -355.807773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.807773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.807773 (E_RNA) where: Base-Base interactions energy: -229.144 where: short stacking energy: -108.292 Base-Backbone interact. energy: -1.205 local terms energy: -125.458273 where: bonds (distance) C4'-P energy: -21.569 bonds (distance) P-C4' energy: -27.055 flat angles C4'-P-C4' energy: -28.301 flat angles P-C4'-P energy: -17.628 tors. eta vs tors. theta energy: -30.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -344.900778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.900778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.900778 (E_RNA) where: Base-Base interactions energy: -225.048 where: short stacking energy: -90.931 Base-Backbone interact. energy: -1.275 local terms energy: -118.577324 where: bonds (distance) C4'-P energy: -21.518 bonds (distance) P-C4' energy: -24.954 flat angles C4'-P-C4' energy: -27.016 flat angles P-C4'-P energy: -16.729 tors. eta vs tors. theta energy: -28.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -296.629165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.629165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.629165 (E_RNA) where: Base-Base interactions energy: -204.935 where: short stacking energy: -106.825 Base-Backbone interact. energy: 0.397 local terms energy: -92.091031 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -21.554 flat angles C4'-P-C4' energy: -18.876 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -28.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -261.513744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.513744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.513744 (E_RNA) where: Base-Base interactions energy: -161.998 where: short stacking energy: -81.828 Base-Backbone interact. energy: -0.843 local terms energy: -98.673399 where: bonds (distance) C4'-P energy: -18.631 bonds (distance) P-C4' energy: -23.376 flat angles C4'-P-C4' energy: -22.831 flat angles P-C4'-P energy: -15.577 tors. eta vs tors. theta energy: -18.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -240.838065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.838065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.838065 (E_RNA) where: Base-Base interactions energy: -144.620 where: short stacking energy: -63.491 Base-Backbone interact. energy: -0.513 local terms energy: -95.705382 where: bonds (distance) C4'-P energy: -20.929 bonds (distance) P-C4' energy: -24.149 flat angles C4'-P-C4' energy: -26.760 flat angles P-C4'-P energy: -15.828 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: 9, replica: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -241.460585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.460585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.460585 (E_RNA) where: Base-Base interactions energy: -148.993 where: short stacking energy: -75.606 Base-Backbone interact. energy: -0.966 local terms energy: -91.501273 where: bonds (distance) C4'-P energy: -22.875 bonds (distance) P-C4' energy: -23.826 flat angles C4'-P-C4' energy: -22.053 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -14.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -186.408622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.408622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.408622 (E_RNA) where: Base-Base interactions energy: -113.283 where: short stacking energy: -64.792 Base-Backbone interact. energy: 4.384 local terms energy: -77.509256 where: bonds (distance) C4'-P energy: -15.203 bonds (distance) P-C4' energy: -19.207 flat angles C4'-P-C4' energy: -16.065 flat angles P-C4'-P energy: -14.468 tors. eta vs tors. theta energy: -12.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -417.061030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.061030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.061030 (E_RNA) where: Base-Base interactions energy: -286.763 where: short stacking energy: -123.863 Base-Backbone interact. energy: -0.764 local terms energy: -129.534413 where: bonds (distance) C4'-P energy: -25.238 bonds (distance) P-C4' energy: -25.443 flat angles C4'-P-C4' energy: -25.158 flat angles P-C4'-P energy: -16.157 tors. eta vs tors. theta energy: -37.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -385.924479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.924479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.924479 (E_RNA) where: Base-Base interactions energy: -259.746 where: short stacking energy: -112.310 Base-Backbone interact. energy: -0.013 local terms energy: -126.166117 where: bonds (distance) C4'-P energy: -21.478 bonds (distance) P-C4' energy: -26.631 flat angles C4'-P-C4' energy: -26.664 flat angles P-C4'-P energy: -17.923 tors. eta vs tors. theta energy: -33.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -396.955982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.955982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.955982 (E_RNA) where: Base-Base interactions energy: -260.628 where: short stacking energy: -116.537 Base-Backbone interact. energy: -2.182 local terms energy: -134.145891 where: bonds (distance) C4'-P energy: -22.449 bonds (distance) P-C4' energy: -29.381 flat angles C4'-P-C4' energy: -22.587 flat angles P-C4'-P energy: -21.758 tors. eta vs tors. theta energy: -37.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -380.971852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.971852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.971852 (E_RNA) where: Base-Base interactions energy: -263.154 where: short stacking energy: -111.063 Base-Backbone interact. energy: -0.853 local terms energy: -116.964204 where: bonds (distance) C4'-P energy: -23.126 bonds (distance) P-C4' energy: -21.902 flat angles C4'-P-C4' energy: -23.627 flat angles P-C4'-P energy: -14.456 tors. eta vs tors. theta energy: -33.853 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: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -346.957538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.957538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.957538 (E_RNA) where: Base-Base interactions energy: -224.407 where: short stacking energy: -97.406 Base-Backbone interact. energy: -0.181 local terms energy: -122.369802 where: bonds (distance) C4'-P energy: -24.981 bonds (distance) P-C4' energy: -24.520 flat angles C4'-P-C4' energy: -28.217 flat angles P-C4'-P energy: -18.942 tors. eta vs tors. theta energy: -25.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -297.673277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.673277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.673277 (E_RNA) where: Base-Base interactions energy: -192.475 where: short stacking energy: -83.839 Base-Backbone interact. energy: -0.406 local terms energy: -104.792037 where: bonds (distance) C4'-P energy: -17.903 bonds (distance) P-C4' energy: -28.079 flat angles C4'-P-C4' energy: -20.735 flat angles P-C4'-P energy: -18.929 tors. eta vs tors. theta energy: -19.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -262.456977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.456977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.456977 (E_RNA) where: Base-Base interactions energy: -161.391 where: short stacking energy: -84.978 Base-Backbone interact. energy: -0.384 local terms energy: -100.681179 where: bonds (distance) C4'-P energy: -22.099 bonds (distance) P-C4' energy: -22.719 flat angles C4'-P-C4' energy: -17.977 flat angles P-C4'-P energy: -15.124 tors. eta vs tors. theta energy: -22.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -251.611175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.611175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.611175 (E_RNA) where: Base-Base interactions energy: -167.607 where: short stacking energy: -69.598 Base-Backbone interact. energy: -0.554 local terms energy: -83.449958 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -23.229 flat angles C4'-P-C4' energy: -19.492 flat angles P-C4'-P energy: -13.854 tors. eta vs tors. theta energy: -11.189 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: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -239.300870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.300870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.300870 (E_RNA) where: Base-Base interactions energy: -137.299 where: short stacking energy: -58.467 Base-Backbone interact. energy: 0.844 local terms energy: -102.846223 where: bonds (distance) C4'-P energy: -21.292 bonds (distance) P-C4' energy: -26.802 flat angles C4'-P-C4' energy: -25.723 flat angles P-C4'-P energy: -16.125 tors. eta vs tors. theta energy: -12.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -184.205143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.205143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.205143 (E_RNA) where: Base-Base interactions energy: -103.954 where: short stacking energy: -51.575 Base-Backbone interact. energy: -0.513 local terms energy: -79.738428 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -21.920 flat angles C4'-P-C4' energy: -21.085 flat angles P-C4'-P energy: -15.113 tors. eta vs tors. theta energy: -9.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -409.017247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.017247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.017247 (E_RNA) where: Base-Base interactions energy: -291.649 where: short stacking energy: -123.354 Base-Backbone interact. energy: -0.021 local terms energy: -117.347231 where: bonds (distance) C4'-P energy: -18.038 bonds (distance) P-C4' energy: -25.026 flat angles C4'-P-C4' energy: -18.706 flat angles P-C4'-P energy: -20.283 tors. eta vs tors. theta energy: -35.294 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: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -394.353022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.353022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.353022 (E_RNA) where: Base-Base interactions energy: -268.325 where: short stacking energy: -114.313 Base-Backbone interact. energy: -0.500 local terms energy: -125.527545 where: bonds (distance) C4'-P energy: -24.998 bonds (distance) P-C4' energy: -26.022 flat angles C4'-P-C4' energy: -23.391 flat angles P-C4'-P energy: -15.147 tors. eta vs tors. theta energy: -35.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -393.834147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.834147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.834147 (E_RNA) where: Base-Base interactions energy: -268.508 where: short stacking energy: -115.125 Base-Backbone interact. energy: -0.046 local terms energy: -125.279462 where: bonds (distance) C4'-P energy: -23.458 bonds (distance) P-C4' energy: -23.452 flat angles C4'-P-C4' energy: -27.820 flat angles P-C4'-P energy: -14.987 tors. eta vs tors. theta energy: -35.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -348.081406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.081406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.081406 (E_RNA) where: Base-Base interactions energy: -227.066 where: short stacking energy: -106.590 Base-Backbone interact. energy: -0.243 local terms energy: -120.772120 where: bonds (distance) C4'-P energy: -22.534 bonds (distance) P-C4' energy: -28.509 flat angles C4'-P-C4' energy: -23.566 flat angles P-C4'-P energy: -16.663 tors. eta vs tors. theta energy: -29.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -354.698680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.698680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.698680 (E_RNA) where: Base-Base interactions energy: -241.899 where: short stacking energy: -105.636 Base-Backbone interact. energy: -0.129 local terms energy: -112.670700 where: bonds (distance) C4'-P energy: -18.647 bonds (distance) P-C4' energy: -22.875 flat angles C4'-P-C4' energy: -20.949 flat angles P-C4'-P energy: -20.840 tors. eta vs tors. theta energy: -29.360 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: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -306.232777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.232777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.232777 (E_RNA) where: Base-Base interactions energy: -207.901 where: short stacking energy: -94.201 Base-Backbone interact. energy: -0.119 local terms energy: -98.212409 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -21.902 flat angles C4'-P-C4' energy: -26.735 flat angles P-C4'-P energy: -12.794 tors. eta vs tors. theta energy: -22.159 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: 7 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -259.639573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.639573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.639573 (E_RNA) where: Base-Base interactions energy: -171.094 where: short stacking energy: -88.220 Base-Backbone interact. energy: 0.226 local terms energy: -88.771109 where: bonds (distance) C4'-P energy: -24.244 bonds (distance) P-C4' energy: -20.561 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -11.744 tors. eta vs tors. theta energy: -17.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -230.304537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.304537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.304537 (E_RNA) where: Base-Base interactions energy: -139.691 where: short stacking energy: -57.741 Base-Backbone interact. energy: -0.300 local terms energy: -90.313170 where: bonds (distance) C4'-P energy: -20.183 bonds (distance) P-C4' energy: -23.593 flat angles C4'-P-C4' energy: -20.411 flat angles P-C4'-P energy: -20.382 tors. eta vs tors. theta energy: -5.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -233.185833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.185833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.185833 (E_RNA) where: Base-Base interactions energy: -153.381 where: short stacking energy: -75.806 Base-Backbone interact. energy: -0.293 local terms energy: -79.511571 where: bonds (distance) C4'-P energy: -20.810 bonds (distance) P-C4' energy: -14.313 flat angles C4'-P-C4' energy: -18.326 flat angles P-C4'-P energy: -12.863 tors. eta vs tors. theta energy: -13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -183.032000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.032000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.032000 (E_RNA) where: Base-Base interactions energy: -110.826 where: short stacking energy: -51.169 Base-Backbone interact. energy: -0.579 local terms energy: -71.626964 where: bonds (distance) C4'-P energy: -18.931 bonds (distance) P-C4' energy: -22.513 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -404.978388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.978388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.978388 (E_RNA) where: Base-Base interactions energy: -270.000 where: short stacking energy: -122.282 Base-Backbone interact. energy: -0.485 local terms energy: -134.493152 where: bonds (distance) C4'-P energy: -26.993 bonds (distance) P-C4' energy: -22.313 flat angles C4'-P-C4' energy: -28.916 flat angles P-C4'-P energy: -18.631 tors. eta vs tors. theta energy: -37.640 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: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -402.998251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.998251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.998251 (E_RNA) where: Base-Base interactions energy: -274.351 where: short stacking energy: -111.607 Base-Backbone interact. energy: -1.411 local terms energy: -127.235876 where: bonds (distance) C4'-P energy: -26.485 bonds (distance) P-C4' energy: -24.858 flat angles C4'-P-C4' energy: -24.919 flat angles P-C4'-P energy: -18.991 tors. eta vs tors. theta energy: -31.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -382.440774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.440774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.440774 (E_RNA) where: Base-Base interactions energy: -263.188 where: short stacking energy: -105.344 Base-Backbone interact. energy: -0.006 local terms energy: -119.246596 where: bonds (distance) C4'-P energy: -20.147 bonds (distance) P-C4' energy: -22.490 flat angles C4'-P-C4' energy: -23.905 flat angles P-C4'-P energy: -20.284 tors. eta vs tors. theta energy: -32.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -353.262224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.262224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.262224 (E_RNA) where: Base-Base interactions energy: -238.992 where: short stacking energy: -106.667 Base-Backbone interact. energy: -0.504 local terms energy: -113.765900 where: bonds (distance) C4'-P energy: -20.651 bonds (distance) P-C4' energy: -19.884 flat angles C4'-P-C4' energy: -23.521 flat angles P-C4'-P energy: -17.032 tors. eta vs tors. theta energy: -32.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -350.050673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.050673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.050673 (E_RNA) where: Base-Base interactions energy: -242.589 where: short stacking energy: -110.967 Base-Backbone interact. energy: -0.145 local terms energy: -107.317314 where: bonds (distance) C4'-P energy: -18.143 bonds (distance) P-C4' energy: -19.849 flat angles C4'-P-C4' energy: -25.442 flat angles P-C4'-P energy: -15.532 tors. eta vs tors. theta energy: -28.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -324.283949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.283949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.283949 (E_RNA) where: Base-Base interactions energy: -209.283 where: short stacking energy: -98.712 Base-Backbone interact. energy: -0.377 local terms energy: -114.623585 where: bonds (distance) C4'-P energy: -21.142 bonds (distance) P-C4' energy: -27.411 flat angles C4'-P-C4' energy: -23.119 flat angles P-C4'-P energy: -18.170 tors. eta vs tors. theta energy: -24.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -266.902069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.902069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.902069 (E_RNA) where: Base-Base interactions energy: -175.200 where: short stacking energy: -87.865 Base-Backbone interact. energy: -0.122 local terms energy: -91.579685 where: bonds (distance) C4'-P energy: -19.939 bonds (distance) P-C4' energy: -19.834 flat angles C4'-P-C4' energy: -22.726 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -18.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -240.402886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.402886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.402886 (E_RNA) where: Base-Base interactions energy: -161.307 where: short stacking energy: -86.454 Base-Backbone interact. energy: -0.323 local terms energy: -78.772876 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -16.444 flat angles C4'-P-C4' energy: -16.845 flat angles P-C4'-P energy: -13.804 tors. eta vs tors. theta energy: -18.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -225.847417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.847417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.847417 (E_RNA) where: Base-Base interactions energy: -141.354 where: short stacking energy: -69.741 Base-Backbone interact. energy: -0.785 local terms energy: -83.708283 where: bonds (distance) C4'-P energy: -20.674 bonds (distance) P-C4' energy: -22.558 flat angles C4'-P-C4' energy: -24.704 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -12.352 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: 10, replica: 5 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -177.146160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.146160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.146160 (E_RNA) where: Base-Base interactions energy: -89.540 where: short stacking energy: -36.024 Base-Backbone interact. energy: -0.538 local terms energy: -87.068783 where: bonds (distance) C4'-P energy: -21.859 bonds (distance) P-C4' energy: -22.527 flat angles C4'-P-C4' energy: -20.203 flat angles P-C4'-P energy: -12.752 tors. eta vs tors. theta energy: -9.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -406.972135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.972135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.972135 (E_RNA) where: Base-Base interactions energy: -282.215 where: short stacking energy: -123.742 Base-Backbone interact. energy: -0.461 local terms energy: -124.296733 where: bonds (distance) C4'-P energy: -24.409 bonds (distance) P-C4' energy: -25.551 flat angles C4'-P-C4' energy: -27.451 flat angles P-C4'-P energy: -13.159 tors. eta vs tors. theta energy: -33.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -395.699052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.699052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.699052 (E_RNA) where: Base-Base interactions energy: -276.811 where: short stacking energy: -115.676 Base-Backbone interact. energy: -0.020 local terms energy: -118.867701 where: bonds (distance) C4'-P energy: -21.629 bonds (distance) P-C4' energy: -23.274 flat angles C4'-P-C4' energy: -23.079 flat angles P-C4'-P energy: -20.169 tors. eta vs tors. theta energy: -30.718 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: 3, replica: 8 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -396.278629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.278629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.278629 (E_RNA) where: Base-Base interactions energy: -270.440 where: short stacking energy: -118.546 Base-Backbone interact. energy: -1.588 local terms energy: -124.250614 where: bonds (distance) C4'-P energy: -17.786 bonds (distance) P-C4' energy: -23.108 flat angles C4'-P-C4' energy: -28.852 flat angles P-C4'-P energy: -17.146 tors. eta vs tors. theta energy: -37.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -356.579923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.579923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.579923 (E_RNA) where: Base-Base interactions energy: -235.586 where: short stacking energy: -111.488 Base-Backbone interact. energy: -0.859 local terms energy: -120.134893 where: bonds (distance) C4'-P energy: -26.554 bonds (distance) P-C4' energy: -24.386 flat angles C4'-P-C4' energy: -22.558 flat angles P-C4'-P energy: -17.176 tors. eta vs tors. theta energy: -29.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -343.662858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.662858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.662858 (E_RNA) where: Base-Base interactions energy: -237.399 where: short stacking energy: -95.068 Base-Backbone interact. energy: -0.369 local terms energy: -105.894728 where: bonds (distance) C4'-P energy: -24.989 bonds (distance) P-C4' energy: -21.503 flat angles C4'-P-C4' energy: -21.730 flat angles P-C4'-P energy: -16.622 tors. eta vs tors. theta energy: -21.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -272.617336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.617336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.617336 (E_RNA) where: Base-Base interactions energy: -172.193 where: short stacking energy: -74.600 Base-Backbone interact. energy: -0.227 local terms energy: -100.196647 where: bonds (distance) C4'-P energy: -21.715 bonds (distance) P-C4' energy: -24.672 flat angles C4'-P-C4' energy: -21.412 flat angles P-C4'-P energy: -12.581 tors. eta vs tors. theta energy: -19.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -294.421069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.421069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.421069 (E_RNA) where: Base-Base interactions energy: -188.250 where: short stacking energy: -71.922 Base-Backbone interact. energy: 0.745 local terms energy: -106.915651 where: bonds (distance) C4'-P energy: -21.345 bonds (distance) P-C4' energy: -23.380 flat angles C4'-P-C4' energy: -25.443 flat angles P-C4'-P energy: -16.636 tors. eta vs tors. theta energy: -20.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -235.462582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.462582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.462582 (E_RNA) where: Base-Base interactions energy: -142.720 where: short stacking energy: -64.511 Base-Backbone interact. energy: -1.784 local terms energy: -90.957846 where: bonds (distance) C4'-P energy: -18.332 bonds (distance) P-C4' energy: -16.885 flat angles C4'-P-C4' energy: -25.199 flat angles P-C4'-P energy: -14.884 tors. eta vs tors. theta energy: -15.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -239.550420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.550420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.550420 (E_RNA) where: Base-Base interactions energy: -161.093 where: short stacking energy: -84.646 Base-Backbone interact. energy: -0.444 local terms energy: -78.013812 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -19.005 flat angles C4'-P-C4' energy: -16.193 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -17.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -195.740687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.740687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.740687 (E_RNA) where: Base-Base interactions energy: -108.543 where: short stacking energy: -63.634 Base-Backbone interact. energy: -0.013 local terms energy: -87.184917 where: bonds (distance) C4'-P energy: -21.228 bonds (distance) P-C4' energy: -20.745 flat angles C4'-P-C4' energy: -21.900 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -12.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -401.959606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.959606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.959606 (E_RNA) where: Base-Base interactions energy: -275.384 where: short stacking energy: -120.406 Base-Backbone interact. energy: -0.930 local terms energy: -125.645459 where: bonds (distance) C4'-P energy: -19.803 bonds (distance) P-C4' energy: -25.542 flat angles C4'-P-C4' energy: -26.342 flat angles P-C4'-P energy: -21.091 tors. eta vs tors. theta energy: -32.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -399.144391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.144391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.144391 (E_RNA) where: Base-Base interactions energy: -277.247 where: short stacking energy: -111.791 Base-Backbone interact. energy: -0.079 local terms energy: -121.818893 where: bonds (distance) C4'-P energy: -20.789 bonds (distance) P-C4' energy: -23.005 flat angles C4'-P-C4' energy: -24.910 flat angles P-C4'-P energy: -16.387 tors. eta vs tors. theta energy: -36.727 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: 3, replica: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -393.646407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.646407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.646407 (E_RNA) where: Base-Base interactions energy: -272.475 where: short stacking energy: -121.262 Base-Backbone interact. energy: -1.750 local terms energy: -119.421267 where: bonds (distance) C4'-P energy: -21.441 bonds (distance) P-C4' energy: -22.128 flat angles C4'-P-C4' energy: -22.950 flat angles P-C4'-P energy: -16.153 tors. eta vs tors. theta energy: -36.750 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: 3 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -353.154396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.154396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.154396 (E_RNA) where: Base-Base interactions energy: -237.672 where: short stacking energy: -111.754 Base-Backbone interact. energy: -0.356 local terms energy: -115.126001 where: bonds (distance) C4'-P energy: -21.377 bonds (distance) P-C4' energy: -17.493 flat angles C4'-P-C4' energy: -24.154 flat angles P-C4'-P energy: -18.937 tors. eta vs tors. theta energy: -33.165 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: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -351.132764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.132764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.132764 (E_RNA) where: Base-Base interactions energy: -240.675 where: short stacking energy: -96.894 Base-Backbone interact. energy: -0.100 local terms energy: -110.358245 where: bonds (distance) C4'-P energy: -21.765 bonds (distance) P-C4' energy: -24.703 flat angles C4'-P-C4' energy: -22.984 flat angles P-C4'-P energy: -16.161 tors. eta vs tors. theta energy: -24.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -244.205296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.205296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.205296 (E_RNA) where: Base-Base interactions energy: -152.102 where: short stacking energy: -71.588 Base-Backbone interact. energy: -0.068 local terms energy: -92.035617 where: bonds (distance) C4'-P energy: -23.213 bonds (distance) P-C4' energy: -20.645 flat angles C4'-P-C4' energy: -17.538 flat angles P-C4'-P energy: -12.202 tors. eta vs tors. theta energy: -18.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -302.866229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.866229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.866229 (E_RNA) where: Base-Base interactions energy: -195.650 where: short stacking energy: -88.837 Base-Backbone interact. energy: -0.028 local terms energy: -107.188183 where: bonds (distance) C4'-P energy: -24.947 bonds (distance) P-C4' energy: -21.537 flat angles C4'-P-C4' energy: -23.005 flat angles P-C4'-P energy: -15.711 tors. eta vs tors. theta energy: -21.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -240.487829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.487829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.487829 (E_RNA) where: Base-Base interactions energy: -147.958 where: short stacking energy: -71.410 Base-Backbone interact. energy: -0.056 local terms energy: -92.473399 where: bonds (distance) C4'-P energy: -24.985 bonds (distance) P-C4' energy: -24.115 flat angles C4'-P-C4' energy: -20.856 flat angles P-C4'-P energy: -12.664 tors. eta vs tors. theta energy: -9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -239.915939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.915939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.915939 (E_RNA) where: Base-Base interactions energy: -145.538 where: short stacking energy: -65.982 Base-Backbone interact. energy: -0.763 local terms energy: -93.614445 where: bonds (distance) C4'-P energy: -22.825 bonds (distance) P-C4' energy: -24.550 flat angles C4'-P-C4' energy: -16.952 flat angles P-C4'-P energy: -15.279 tors. eta vs tors. theta energy: -14.010 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: 5 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -183.111347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.111347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.111347 (E_RNA) where: Base-Base interactions energy: -107.207 where: short stacking energy: -57.315 Base-Backbone interact. energy: 0.669 local terms energy: -76.573486 where: bonds (distance) C4'-P energy: -17.541 bonds (distance) P-C4' energy: -24.152 flat angles C4'-P-C4' energy: -24.655 flat angles P-C4'-P energy: -2.935 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: 1, replica: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -415.710090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.710090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.710090 (E_RNA) where: Base-Base interactions energy: -282.060 where: short stacking energy: -119.571 Base-Backbone interact. energy: -1.752 local terms energy: -131.897483 where: bonds (distance) C4'-P energy: -24.055 bonds (distance) P-C4' energy: -23.416 flat angles C4'-P-C4' energy: -26.497 flat angles P-C4'-P energy: -21.164 tors. eta vs tors. theta energy: -36.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -397.896467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.896467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.896467 (E_RNA) where: Base-Base interactions energy: -271.994 where: short stacking energy: -123.821 Base-Backbone interact. energy: -1.228 local terms energy: -124.674857 where: bonds (distance) C4'-P energy: -22.371 bonds (distance) P-C4' energy: -22.275 flat angles C4'-P-C4' energy: -26.194 flat angles P-C4'-P energy: -17.716 tors. eta vs tors. theta energy: -36.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -379.174115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.174115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.174115 (E_RNA) where: Base-Base interactions energy: -260.857 where: short stacking energy: -117.078 Base-Backbone interact. energy: -0.702 local terms energy: -117.614947 where: bonds (distance) C4'-P energy: -19.806 bonds (distance) P-C4' energy: -23.903 flat angles C4'-P-C4' energy: -22.553 flat angles P-C4'-P energy: -16.832 tors. eta vs tors. theta energy: -34.521 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: 487 Temperature: 1.050000 Total energy: -342.420249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.420249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.420249 (E_RNA) where: Base-Base interactions energy: -236.917 where: short stacking energy: -94.246 Base-Backbone interact. energy: -0.662 local terms energy: -104.841749 where: bonds (distance) C4'-P energy: -22.672 bonds (distance) P-C4' energy: -15.592 flat angles C4'-P-C4' energy: -27.594 flat angles P-C4'-P energy: -14.265 tors. eta vs tors. theta energy: -24.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -353.031399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.031399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.031399 (E_RNA) where: Base-Base interactions energy: -238.100 where: short stacking energy: -107.593 Base-Backbone interact. energy: -0.011 local terms energy: -114.919963 where: bonds (distance) C4'-P energy: -23.991 bonds (distance) P-C4' energy: -22.594 flat angles C4'-P-C4' energy: -25.634 flat angles P-C4'-P energy: -14.009 tors. eta vs tors. theta energy: -28.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -312.951592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.951592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.951592 (E_RNA) where: Base-Base interactions energy: -201.814 where: short stacking energy: -91.133 Base-Backbone interact. energy: 0.028 local terms energy: -111.165645 where: bonds (distance) C4'-P energy: -27.208 bonds (distance) P-C4' energy: -22.865 flat angles C4'-P-C4' energy: -26.793 flat angles P-C4'-P energy: -12.241 tors. eta vs tors. theta energy: -22.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -250.089691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.089691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.089691 (E_RNA) where: Base-Base interactions energy: -160.420 where: short stacking energy: -72.250 Base-Backbone interact. energy: -0.297 local terms energy: -89.372877 where: bonds (distance) C4'-P energy: -21.780 bonds (distance) P-C4' energy: -22.043 flat angles C4'-P-C4' energy: -21.887 flat angles P-C4'-P energy: -12.130 tors. eta vs tors. theta energy: -11.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -229.531584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.531584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.531584 (E_RNA) where: Base-Base interactions energy: -137.783 where: short stacking energy: -64.664 Base-Backbone interact. energy: -0.496 local terms energy: -91.253273 where: bonds (distance) C4'-P energy: -21.042 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -24.566 flat angles P-C4'-P energy: -15.669 tors. eta vs tors. theta energy: -14.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -231.413368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.413368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.413368 (E_RNA) where: Base-Base interactions energy: -145.046 where: short stacking energy: -62.962 Base-Backbone interact. energy: -0.630 local terms energy: -85.738081 where: bonds (distance) C4'-P energy: -15.134 bonds (distance) P-C4' energy: -24.197 flat angles C4'-P-C4' energy: -21.491 flat angles P-C4'-P energy: -16.491 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -202.249397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.249397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.249397 (E_RNA) where: Base-Base interactions energy: -120.325 where: short stacking energy: -37.915 Base-Backbone interact. energy: 0.742 local terms energy: -82.665942 where: bonds (distance) C4'-P energy: -14.906 bonds (distance) P-C4' energy: -25.619 flat angles C4'-P-C4' energy: -25.844 flat angles P-C4'-P energy: -12.914 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -417.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.280249 (E_RNA) where: Base-Base interactions energy: -288.596 where: short stacking energy: -123.216 Base-Backbone interact. energy: -1.605 local terms energy: -127.079228 where: bonds (distance) C4'-P energy: -23.882 bonds (distance) P-C4' energy: -18.234 flat angles C4'-P-C4' energy: -23.626 flat angles P-C4'-P energy: -23.275 tors. eta vs tors. theta energy: -38.062 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: 2, replica: 1 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -405.971158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.971158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.971158 (E_RNA) where: Base-Base interactions energy: -273.092 where: short stacking energy: -112.409 Base-Backbone interact. energy: -0.738 local terms energy: -132.140461 where: bonds (distance) C4'-P energy: -26.546 bonds (distance) P-C4' energy: -23.719 flat angles C4'-P-C4' energy: -28.204 flat angles P-C4'-P energy: -17.126 tors. eta vs tors. theta energy: -36.546 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: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -368.353638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.353638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.353638 (E_RNA) where: Base-Base interactions energy: -240.817 where: short stacking energy: -113.005 Base-Backbone interact. energy: -0.601 local terms energy: -126.935812 where: bonds (distance) C4'-P energy: -24.587 bonds (distance) P-C4' energy: -24.910 flat angles C4'-P-C4' energy: -25.716 flat angles P-C4'-P energy: -20.355 tors. eta vs tors. theta energy: -31.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -350.908528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.908528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.908528 (E_RNA) where: Base-Base interactions energy: -235.965 where: short stacking energy: -104.364 Base-Backbone interact. energy: -0.619 local terms energy: -114.325008 where: bonds (distance) C4'-P energy: -21.463 bonds (distance) P-C4' energy: -26.140 flat angles C4'-P-C4' energy: -19.942 flat angles P-C4'-P energy: -16.753 tors. eta vs tors. theta energy: -30.027 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -333.577649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.577649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.577649 (E_RNA) where: Base-Base interactions energy: -220.688 where: short stacking energy: -92.849 Base-Backbone interact. energy: -1.178 local terms energy: -111.711604 where: bonds (distance) C4'-P energy: -17.338 bonds (distance) P-C4' energy: -24.887 flat angles C4'-P-C4' energy: -27.851 flat angles P-C4'-P energy: -18.436 tors. eta vs tors. theta energy: -23.200 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: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -312.743895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.743895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.743895 (E_RNA) where: Base-Base interactions energy: -194.686 where: short stacking energy: -88.046 Base-Backbone interact. energy: -0.051 local terms energy: -118.006649 where: bonds (distance) C4'-P energy: -23.792 bonds (distance) P-C4' energy: -25.053 flat angles C4'-P-C4' energy: -25.136 flat angles P-C4'-P energy: -18.793 tors. eta vs tors. theta energy: -25.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -265.019927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.019927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.019927 (E_RNA) where: Base-Base interactions energy: -168.371 where: short stacking energy: -82.131 Base-Backbone interact. energy: -0.256 local terms energy: -96.392233 where: bonds (distance) C4'-P energy: -19.941 bonds (distance) P-C4' energy: -22.971 flat angles C4'-P-C4' energy: -21.810 flat angles P-C4'-P energy: -14.669 tors. eta vs tors. theta energy: -17.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -233.125911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.125911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.125911 (E_RNA) where: Base-Base interactions energy: -143.673 where: short stacking energy: -71.507 Base-Backbone interact. energy: -0.213 local terms energy: -89.240416 where: bonds (distance) C4'-P energy: -16.039 bonds (distance) P-C4' energy: -23.582 flat angles C4'-P-C4' energy: -20.012 flat angles P-C4'-P energy: -16.240 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -240.776692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.776692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.776692 (E_RNA) where: Base-Base interactions energy: -142.357 where: short stacking energy: -74.912 Base-Backbone interact. energy: -0.282 local terms energy: -98.138603 where: bonds (distance) C4'-P energy: -20.019 bonds (distance) P-C4' energy: -28.827 flat angles C4'-P-C4' energy: -24.303 flat angles P-C4'-P energy: -8.184 tors. eta vs tors. theta energy: -16.806 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: 5 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -184.940555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.940555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.940555 (E_RNA) where: Base-Base interactions energy: -114.374 where: short stacking energy: -47.200 Base-Backbone interact. energy: -0.137 local terms energy: -70.430097 where: bonds (distance) C4'-P energy: -25.205 bonds (distance) P-C4' energy: -12.727 flat angles C4'-P-C4' energy: -17.943 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -406.937041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.937041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.937041 (E_RNA) where: Base-Base interactions energy: -273.533 where: short stacking energy: -126.613 Base-Backbone interact. energy: -0.006 local terms energy: -133.398305 where: bonds (distance) C4'-P energy: -26.703 bonds (distance) P-C4' energy: -25.429 flat angles C4'-P-C4' energy: -27.833 flat angles P-C4'-P energy: -16.656 tors. eta vs tors. theta energy: -36.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -396.522851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.522851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.522851 (E_RNA) where: Base-Base interactions energy: -271.362 where: short stacking energy: -125.109 Base-Backbone interact. energy: -1.028 local terms energy: -124.133099 where: bonds (distance) C4'-P energy: -25.486 bonds (distance) P-C4' energy: -24.613 flat angles C4'-P-C4' energy: -21.343 flat angles P-C4'-P energy: -18.266 tors. eta vs tors. theta energy: -34.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -368.546149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.546149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.546149 (E_RNA) where: Base-Base interactions energy: -255.295 where: short stacking energy: -112.416 Base-Backbone interact. energy: -1.026 local terms energy: -112.224463 where: bonds (distance) C4'-P energy: -19.361 bonds (distance) P-C4' energy: -25.905 flat angles C4'-P-C4' energy: -22.206 flat angles P-C4'-P energy: -12.791 tors. eta vs tors. theta energy: -31.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -341.697246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.697246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.697246 (E_RNA) where: Base-Base interactions energy: -230.705 where: short stacking energy: -101.465 Base-Backbone interact. energy: -1.574 local terms energy: -109.417550 where: bonds (distance) C4'-P energy: -23.012 bonds (distance) P-C4' energy: -26.259 flat angles C4'-P-C4' energy: -24.972 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -25.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -362.668369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.668369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.668369 (E_RNA) where: Base-Base interactions energy: -251.442 where: short stacking energy: -103.808 Base-Backbone interact. energy: -1.213 local terms energy: -110.013328 where: bonds (distance) C4'-P energy: -19.012 bonds (distance) P-C4' energy: -23.692 flat angles C4'-P-C4' energy: -21.129 flat angles P-C4'-P energy: -14.874 tors. eta vs tors. theta energy: -31.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -315.813562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.813562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.813562 (E_RNA) where: Base-Base interactions energy: -214.464 where: short stacking energy: -99.603 Base-Backbone interact. energy: -0.071 local terms energy: -101.278977 where: bonds (distance) C4'-P energy: -25.826 bonds (distance) P-C4' energy: -20.227 flat angles C4'-P-C4' energy: -21.642 flat angles P-C4'-P energy: -10.286 tors. eta vs tors. theta energy: -23.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -248.795972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.795972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.795972 (E_RNA) where: Base-Base interactions energy: -150.247 where: short stacking energy: -66.455 Base-Backbone interact. energy: -1.601 local terms energy: -96.947722 where: bonds (distance) C4'-P energy: -23.162 bonds (distance) P-C4' energy: -23.242 flat angles C4'-P-C4' energy: -19.926 flat angles P-C4'-P energy: -15.286 tors. eta vs tors. theta energy: -15.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -245.471107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.471107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.471107 (E_RNA) where: Base-Base interactions energy: -158.077 where: short stacking energy: -80.203 Base-Backbone interact. energy: -0.087 local terms energy: -87.307073 where: bonds (distance) C4'-P energy: -15.192 bonds (distance) P-C4' energy: -21.883 flat angles C4'-P-C4' energy: -24.869 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -239.862048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.862048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.862048 (E_RNA) where: Base-Base interactions energy: -151.094 where: short stacking energy: -74.687 Base-Backbone interact. energy: -0.140 local terms energy: -88.628111 where: bonds (distance) C4'-P energy: -17.762 bonds (distance) P-C4' energy: -20.654 flat angles C4'-P-C4' energy: -19.520 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -21.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -180.019815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.019815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.019815 (E_RNA) where: Base-Base interactions energy: -112.141 where: short stacking energy: -62.133 Base-Backbone interact. energy: -0.156 local terms energy: -67.722779 where: bonds (distance) C4'-P energy: -19.296 bonds (distance) P-C4' energy: -19.267 flat angles C4'-P-C4' energy: -12.985 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -8.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -424.125468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.125468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.125468 (E_RNA) where: Base-Base interactions energy: -291.419 where: short stacking energy: -129.468 Base-Backbone interact. energy: -1.149 local terms energy: -131.558234 where: bonds (distance) C4'-P energy: -24.273 bonds (distance) P-C4' energy: -27.848 flat angles C4'-P-C4' energy: -26.419 flat angles P-C4'-P energy: -20.438 tors. eta vs tors. theta energy: -32.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -398.686268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.686268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.686268 (E_RNA) where: Base-Base interactions energy: -262.878 where: short stacking energy: -116.527 Base-Backbone interact. energy: -0.201 local terms energy: -135.607252 where: bonds (distance) C4'-P energy: -24.274 bonds (distance) P-C4' energy: -25.878 flat angles C4'-P-C4' energy: -27.851 flat angles P-C4'-P energy: -21.038 tors. eta vs tors. theta energy: -36.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -359.051916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.051916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.051916 (E_RNA) where: Base-Base interactions energy: -239.351 where: short stacking energy: -105.806 Base-Backbone interact. energy: -0.760 local terms energy: -118.940516 where: bonds (distance) C4'-P energy: -25.750 bonds (distance) P-C4' energy: -23.786 flat angles C4'-P-C4' energy: -26.607 flat angles P-C4'-P energy: -18.495 tors. eta vs tors. theta energy: -24.303 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: 9 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -371.924950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.924950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.924950 (E_RNA) where: Base-Base interactions energy: -246.372 where: short stacking energy: -113.806 Base-Backbone interact. energy: -0.792 local terms energy: -124.760013 where: bonds (distance) C4'-P energy: -26.182 bonds (distance) P-C4' energy: -23.465 flat angles C4'-P-C4' energy: -25.076 flat angles P-C4'-P energy: -17.311 tors. eta vs tors. theta energy: -32.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -324.072693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.072693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.072693 (E_RNA) where: Base-Base interactions energy: -217.132 where: short stacking energy: -95.844 Base-Backbone interact. energy: -0.009 local terms energy: -106.931490 where: bonds (distance) C4'-P energy: -20.261 bonds (distance) P-C4' energy: -22.587 flat angles C4'-P-C4' energy: -28.286 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -25.129 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: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -340.682388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.682388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.682388 (E_RNA) where: Base-Base interactions energy: -222.332 where: short stacking energy: -101.429 Base-Backbone interact. energy: -1.491 local terms energy: -116.859694 where: bonds (distance) C4'-P energy: -20.525 bonds (distance) P-C4' energy: -26.520 flat angles C4'-P-C4' energy: -25.037 flat angles P-C4'-P energy: -13.845 tors. eta vs tors. theta energy: -30.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -244.693110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.693110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.693110 (E_RNA) where: Base-Base interactions energy: -154.614 where: short stacking energy: -75.015 Base-Backbone interact. energy: -0.167 local terms energy: -89.912169 where: bonds (distance) C4'-P energy: -17.902 bonds (distance) P-C4' energy: -17.882 flat angles C4'-P-C4' energy: -25.346 flat angles P-C4'-P energy: -14.858 tors. eta vs tors. theta energy: -13.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -234.565794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.565794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.565794 (E_RNA) where: Base-Base interactions energy: -144.725 where: short stacking energy: -68.954 Base-Backbone interact. energy: -0.682 local terms energy: -89.159643 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -24.533 flat angles C4'-P-C4' energy: -18.974 flat angles P-C4'-P energy: -16.284 tors. eta vs tors. theta energy: -14.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -241.223334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.223334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.223334 (E_RNA) where: Base-Base interactions energy: -147.065 where: short stacking energy: -67.939 Base-Backbone interact. energy: -0.240 local terms energy: -93.918170 where: bonds (distance) C4'-P energy: -22.010 bonds (distance) P-C4' energy: -19.440 flat angles C4'-P-C4' energy: -22.943 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -19.182 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: 5 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -194.971472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.971472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.971472 (E_RNA) where: Base-Base interactions energy: -116.715 where: short stacking energy: -52.386 Base-Backbone interact. energy: 0.592 local terms energy: -78.848412 where: bonds (distance) C4'-P energy: -19.302 bonds (distance) P-C4' energy: -18.512 flat angles C4'-P-C4' energy: -22.350 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -8.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -410.443612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.443612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.443612 (E_RNA) where: Base-Base interactions energy: -279.517 where: short stacking energy: -118.830 Base-Backbone interact. energy: -2.115 local terms energy: -128.811387 where: bonds (distance) C4'-P energy: -21.930 bonds (distance) P-C4' energy: -22.513 flat angles C4'-P-C4' energy: -26.265 flat angles P-C4'-P energy: -22.313 tors. eta vs tors. theta energy: -35.790 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: 8 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -399.610700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.610700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.610700 (E_RNA) where: Base-Base interactions energy: -266.090 where: short stacking energy: -124.515 Base-Backbone interact. energy: -1.785 local terms energy: -131.735816 where: bonds (distance) C4'-P energy: -27.503 bonds (distance) P-C4' energy: -23.355 flat angles C4'-P-C4' energy: -27.326 flat angles P-C4'-P energy: -17.347 tors. eta vs tors. theta energy: -36.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -358.671758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.671758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.671758 (E_RNA) where: Base-Base interactions energy: -245.928 where: short stacking energy: -99.910 Base-Backbone interact. energy: -0.066 local terms energy: -112.677999 where: bonds (distance) C4'-P energy: -24.409 bonds (distance) P-C4' energy: -23.909 flat angles C4'-P-C4' energy: -23.516 flat angles P-C4'-P energy: -15.652 tors. eta vs tors. theta energy: -25.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -363.036633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.036633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.036633 (E_RNA) where: Base-Base interactions energy: -242.876 where: short stacking energy: -101.099 Base-Backbone interact. energy: -0.013 local terms energy: -120.148127 where: bonds (distance) C4'-P energy: -21.356 bonds (distance) P-C4' energy: -26.010 flat angles C4'-P-C4' energy: -29.913 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -30.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -338.684138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.684138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.684138 (E_RNA) where: Base-Base interactions energy: -225.788 where: short stacking energy: -98.845 Base-Backbone interact. energy: 0.078 local terms energy: -112.973842 where: bonds (distance) C4'-P energy: -25.606 bonds (distance) P-C4' energy: -18.325 flat angles C4'-P-C4' energy: -22.019 flat angles P-C4'-P energy: -18.991 tors. eta vs tors. theta energy: -28.033 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: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -345.386528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.386528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.386528 (E_RNA) where: Base-Base interactions energy: -238.248 where: short stacking energy: -100.447 Base-Backbone interact. energy: -0.183 local terms energy: -106.955334 where: bonds (distance) C4'-P energy: -24.918 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -26.739 flat angles P-C4'-P energy: -16.271 tors. eta vs tors. theta energy: -23.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -258.898323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.898323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.898323 (E_RNA) where: Base-Base interactions energy: -156.632 where: short stacking energy: -84.850 Base-Backbone interact. energy: -0.692 local terms energy: -101.575042 where: bonds (distance) C4'-P energy: -25.212 bonds (distance) P-C4' energy: -17.452 flat angles C4'-P-C4' energy: -24.807 flat angles P-C4'-P energy: -17.025 tors. eta vs tors. theta energy: -17.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -234.435469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.435469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.435469 (E_RNA) where: Base-Base interactions energy: -153.083 where: short stacking energy: -77.458 Base-Backbone interact. energy: -0.395 local terms energy: -80.958116 where: bonds (distance) C4'-P energy: -17.722 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -18.763 flat angles P-C4'-P energy: -18.945 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: 9, replica: 7 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -220.505313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.505313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.505313 (E_RNA) where: Base-Base interactions energy: -138.447 where: short stacking energy: -62.614 Base-Backbone interact. energy: -0.601 local terms energy: -81.457517 where: bonds (distance) C4'-P energy: -18.329 bonds (distance) P-C4' energy: -26.758 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -15.134 tors. eta vs tors. theta energy: -7.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -172.492930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.492930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.492930 (E_RNA) where: Base-Base interactions energy: -94.611 where: short stacking energy: -52.621 Base-Backbone interact. energy: -0.354 local terms energy: -77.528272 where: bonds (distance) C4'-P energy: -15.774 bonds (distance) P-C4' energy: -22.463 flat angles C4'-P-C4' energy: -22.091 flat angles P-C4'-P energy: -11.834 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) out arg RESULTS//1/Prova-6b341885_01 DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -405.556860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.556860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.556860 (E_RNA) where: Base-Base interactions energy: -275.342 where: short stacking energy: -119.767 Base-Backbone interact. energy: -1.565 local terms energy: -128.650148 where: bonds (distance) C4'-P energy: -24.496 bonds (distance) P-C4' energy: -28.207 flat angles C4'-P-C4' energy: -23.237 flat angles P-C4'-P energy: -18.353 tors. eta vs tors. theta energy: -34.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -406.749461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.749461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.749461 (E_RNA) where: Base-Base interactions energy: -282.009 where: short stacking energy: -117.324 Base-Backbone interact. energy: -0.185 local terms energy: -124.554996 where: bonds (distance) C4'-P energy: -24.155 bonds (distance) P-C4' energy: -24.921 flat angles C4'-P-C4' energy: -26.921 flat angles P-C4'-P energy: -13.196 tors. eta vs tors. theta energy: -35.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -359.820184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.820184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.820184 (E_RNA) where: Base-Base interactions energy: -246.246 where: short stacking energy: -99.138 Base-Backbone interact. energy: -0.054 local terms energy: -113.520287 where: bonds (distance) C4'-P energy: -21.325 bonds (distance) P-C4' energy: -23.379 flat angles C4'-P-C4' energy: -25.090 flat angles P-C4'-P energy: -16.558 tors. eta vs tors. theta energy: -27.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -349.014314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.014314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.014314 (E_RNA) where: Base-Base interactions energy: -236.729 where: short stacking energy: -92.689 Base-Backbone interact. energy: -0.230 local terms energy: -112.055165 where: bonds (distance) C4'-P energy: -23.546 bonds (distance) P-C4' energy: -25.089 flat angles C4'-P-C4' energy: -21.030 flat angles P-C4'-P energy: -16.610 tors. eta vs tors. theta energy: -25.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -350.645837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.645837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.645837 (E_RNA) where: Base-Base interactions energy: -235.152 where: short stacking energy: -100.161 Base-Backbone interact. energy: -0.097 local terms energy: -115.396251 where: bonds (distance) C4'-P energy: -23.256 bonds (distance) P-C4' energy: -24.521 flat angles C4'-P-C4' energy: -26.126 flat angles P-C4'-P energy: -15.500 tors. eta vs tors. theta energy: -25.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -347.431744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.431744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.431744 (E_RNA) where: Base-Base interactions energy: -237.179 where: short stacking energy: -109.978 Base-Backbone interact. energy: -0.025 local terms energy: -110.227562 where: bonds (distance) C4'-P energy: -18.242 bonds (distance) P-C4' energy: -23.949 flat angles C4'-P-C4' energy: -23.936 flat angles P-C4'-P energy: -13.599 tors. eta vs tors. theta energy: -30.503 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: 7, replica: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -245.870395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.870395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.870395 (E_RNA) where: Base-Base interactions energy: -156.587 where: short stacking energy: -84.057 Base-Backbone interact. energy: -1.284 local terms energy: -87.998692 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -22.627 flat angles C4'-P-C4' energy: -21.759 flat angles P-C4'-P energy: -16.031 tors. eta vs tors. theta energy: -17.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -228.163697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.163697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.163697 (E_RNA) where: Base-Base interactions energy: -138.131 where: short stacking energy: -67.975 Base-Backbone interact. energy: -0.732 local terms energy: -89.300987 where: bonds (distance) C4'-P energy: -21.409 bonds (distance) P-C4' energy: -18.726 flat angles C4'-P-C4' energy: -16.689 flat angles P-C4'-P energy: -18.143 tors. eta vs tors. theta energy: -14.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -175.905210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.905210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.905210 (E_RNA) where: Base-Base interactions energy: -99.429 where: short stacking energy: -47.438 Base-Backbone interact. energy: 0.633 local terms energy: -77.108576 where: bonds (distance) C4'-P energy: -17.951 bonds (distance) P-C4' energy: -26.647 flat angles C4'-P-C4' energy: -16.379 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -5.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -218.918470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.918470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.918470 (E_RNA) where: Base-Base interactions energy: -143.505 where: short stacking energy: -66.827 Base-Backbone interact. energy: -0.531 local terms energy: -74.883131 where: bonds (distance) C4'-P energy: -19.929 bonds (distance) P-C4' energy: -18.098 flat angles C4'-P-C4' energy: -26.170 flat angles P-C4'-P energy: 0.754 tors. eta vs tors. theta energy: -11.441 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)